UCSF

ZINC44804538

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2010 17 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) 0.79 1.84 -49.32 3 4 1 51 242.387 4
Mid Mid (pH 6-8) 0.79 3.9 -97.59 4 4 2 52 243.395 4

Activity (Go SEA)

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