UCSF

ZINC08792214

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 36 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) 5.62 -0.58 -20.18 1 6 0 72 475.548 7
Lo Low (pH 4.5-6) 5.62 -0.41 -51.57 2 6 1 73 476.556 7

Activity (Go SEA)

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