UCSF

ZINC37655142

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2009 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) -0.47 0.87 -46.07 4 5 1 77 216.305 5
Mid Mid (pH 6-8) -0.47 0.38 -8.95 3 5 0 75 215.297 5

Activity (Go SEA)

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