UCSF

ZINC44511629

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 15 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) 1.78 5.99 -98.99 4 2 2 32 226.389 3
Mid Mid (pH 6-8) 1.78 3.76 -44.73 3 2 1 31 225.381 3

Activity (Go SEA)

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