UCSF

ZINC42429029

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 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) -0.85 0.6 -26.96 4 6 1 80 283.396 3
Hi High (pH 8-9.5) -0.85 -1.01 -9.93 3 6 0 79 282.388 3
Mid Mid (pH 6-8) -0.85 1.91 -88.47 5 6 2 84 284.404 3

Activity (Go SEA)

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