UCSF

ZINC42778821

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 14 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) 0.71 2.58 -42.47 3 3 1 48 213.223 5
Mid Mid (pH 6-8) 0.71 2.28 -6.51 2 3 0 46 212.215 5

Activity (Go SEA)

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