UCSF

ZINC05431520

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 28 No

Popular Name: Ascochlorin Ascochlorin

Find On: PubMed — Wikipedia — Google

CAS Number: 26166-39-2

Other Names:

BRD-K47005003-001-01-4

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) 5.57 9.24 -11.16 2 4 0 75 404.934 5 ↓
Mid Mid (pH 6-8) 5.57 10.03 -45.17 1 4 -1 77 403.926 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80049-1-O C3H 10T1/2 (cluster #1 Of 1), Other Other 1000 0.30 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80049 Z80049 C3H 10T1/2 1000 0.30 Functional ≤ 10μM

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

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