UCSF

ZINC20091958

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 21 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) 1.65 3.77 -47.63 3 5 1 59 295.403 7
Hi High (pH 8-9.5) 1.65 4.67 -71.29 2 5 0 61 294.395 7
Mid Mid (pH 6-8) 1.65 4.78 -37.9 3 5 1 55 295.403 7
Lo Low (pH 4.5-6) 1.65 5.92 -130.64 4 5 2 60 296.411 7

Activity (Go SEA)

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