UCSF

ZINC50054162

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 16 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) 1.42 6.88 -37.19 1 4 1 40 230.328 7
Mid Mid (pH 6-8) 1.42 4.58 -5.16 0 4 0 39 229.32 7

Activity (Go SEA)

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