UCSF

ZINC43396204

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 2.12 3.58 -46.06 3 3 1 50 233.266 3
Mid Mid (pH 6-8) 2.12 3.17 -6.34 2 3 0 48 232.258 3

Activity (Go SEA)

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