UCSF

ZINC08786048

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2007 18 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) 3.60 -1.6 -8.76 1 3 0 38 246.354 7
Mid Mid (pH 6-8) 3.60 -1.44 -27.12 2 3 1 39 247.362 7

Activity (Go SEA)

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