UCSF

ZINC34627229

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 20 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) -0.13 2.72 -46.69 3 6 1 70 279.364 5
Mid Mid (pH 6-8) -0.13 0.36 -9.94 2 6 0 69 278.356 5

Activity (Go SEA)

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