UCSF

ZINC33809338

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 20 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) 2.89 7.3 -37.26 1 4 1 32 302.822 11
Mid Mid (pH 6-8) 2.89 4.88 -8.47 0 4 0 31 301.814 11

Activity (Go SEA)

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