UCSF

ZINC34652479

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) -1.39 3.48 -15.68 0 5 0 71 208.265 6
Mid Mid (pH 6-8) -1.39 5.77 -59.19 1 5 1 72 209.273 6

Activity (Go SEA)

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