UCSF

ZINC36682805

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 0.45 0.4 -62.71 3 6 0 98 293.348 6
Hi High (pH 8-9.5) 0.45 -0.03 -50.05 2 6 -1 96 292.34 6
Mid Mid (pH 6-8) 0.45 0.34 -51.11 4 6 1 96 294.356 6

Activity (Go SEA)

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