UCSF

ZINC42742138

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 3.27 6.7 -103.54 4 2 2 32 230.44 6
Mid Mid (pH 6-8) 3.27 5.94 -36.68 3 2 1 31 229.432 6

Activity (Go SEA)

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