UCSF

ZINC41069219

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 17 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) 2.63 5.28 -5.44 3 3 0 51 296.143 3
Mid Mid (pH 6-8) 2.63 5.64 -28.85 4 3 1 52 297.151 3

Activity (Go SEA)

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