UCSF

ZINC36980577

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 3.57 7.89 -37.78 2 4 1 52 280.388 8
Mid Mid (pH 6-8) 3.57 7.24 -8.54 1 4 0 48 279.38 8

Activity (Go SEA)

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