UCSF

ZINC42893776

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 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) 2.92 6.63 -28.67 3 4 1 58 242.302 1
Mid Mid (pH 6-8) 2.92 6.5 -10.78 2 4 0 57 241.294 1

Activity (Go SEA)

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