UCSF

ZINC13508220

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 24 No

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) -4.71 -8.51 -469.04 4 15 -5 275 415.053 6
Mid Mid (pH 6-8) -4.71 -8.51 -455.14 4 15 -5 275 415.053 6
Mid Mid (pH 6-8) -4.71 -8.48 -497.11 4 15 -5 275 415.053 6
Mid Mid (pH 6-8) -4.71 -7.36 -639.8 3 15 -6 278 414.045 6
Lo Low (pH 4.5-6) -4.71 -11.16 -198.17 6 15 -3 269 417.069 6

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50597-4-O Rattus Norvegicus (cluster #4 Of 12), Other Other 119 0.40 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50597 Z50597 Rattus Norvegicus 119 0.40 Functional ≤ 10μM

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

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