UCSF

ZINC54055050

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2010 15 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) -2.35 2.98 -72.69 2 6 0 80 215.253 2
Mid Mid (pH 6-8) -2.35 1.8 -47.5 1 6 -1 76 214.245 2

Activity (Go SEA)

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