UCSF

ZINC42209183

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 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) 4.13 8.9 -3.2 1 1 0 12 239.362 5
Mid Mid (pH 6-8) 4.13 10.26 -42.79 2 1 1 17 240.37 5

Activity (Go SEA)

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