UCSF

ZINC44651741

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 14 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) 1.30 4.8 -110.95 4 3 2 46 198.31 7
Mid Mid (pH 6-8) 1.30 3.62 -35.93 3 3 1 42 197.302 7
Mid Mid (pH 6-8) 1.30 3.44 -36.01 3 3 1 42 197.302 7

Activity (Go SEA)

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