UCSF

ZINC44623176

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 16 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) -0.30 8.61 -74.57 2 4 1 49 229.344 7
Mid Mid (pH 6-8) -0.30 6.31 -33.36 1 4 0 48 228.336 7

Activity (Go SEA)

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