UCSF

ZINC00587095

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 25 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) 2.71 7.4 -47.19 2 6 1 55 340.403 3
Mid Mid (pH 6-8) 2.71 5.04 -12.98 1 6 0 54 339.395 3

Activity (Go SEA)

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