UCSF

ZINC06703283

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2006 25 Yes

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) 1.53 5.68 -18.05 1 6 0 79 379.869 5
Lo Low (pH 4.5-6) 1.53 6.13 -51.43 2 6 1 81 380.877 5

Activity (Go SEA)

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