UCSF

ZINC44609321

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 16 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) 0.85 3.26 -100.25 5 4 2 69 242.392 6
Mid Mid (pH 6-8) 0.85 1.63 -34.2 4 4 1 68 241.384 6

Activity (Go SEA)

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