UCSF

ZINC42778291

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 15 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) 0.62 -1.47 -11.08 2 4 0 53 228.214 7
Mid Mid (pH 6-8) 0.62 0.12 -41.69 3 4 1 54 229.222 7

Activity (Go SEA)

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