UCSF

ZINC13548421

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 22 No

Popular Name: Benzamil hydrochloride Benzamil hydrochloride

Find On: PubMed — Wikipedia — Google

CAS Number: 2898-76-2

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.40 1.46 -10.52 7 8 0 145 319.756 4 ↓
Ref Reference (pH 7) 0.40 1.43 -11.4 7 8 0 145 319.756 4 ↓
Hi High (pH 8-9.5) 0.40 1.48 -41.99 6 8 -1 143 318.748 4 ↓
Hi High (pH 8-9.5) 0.40 1.51 -43.67 6 8 -1 143 318.748 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SCNNA-1-E Amiloride-sensitive Sodium Channel Alpha-subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 66 0.46 Binding ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 3981 0.34 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SCNNA_HUMAN P37088 Amiloride-sensitive Sodium Channel Alpha-subunit, Human 66 0.46 Binding ≤ 1μM
SCNNA_HUMAN P37088 Amiloride-sensitive Sodium Channel Alpha-subunit, Human 66 0.46 Binding ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 3162.27766 0.35 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Stimuli-sensing channels

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.