UCSF

ZINC37853660

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 0.65 1.17 -5.96 2 3 0 41 197.278 6
Mid Mid (pH 6-8) 0.65 2.61 -41.25 3 3 1 46 198.286 6

Activity (Go SEA)

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