UCSF

ZINC41734126

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 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) -0.40 9.76 -79.45 4 4 2 52 274.412 5
Hi High (pH 8-9.5) -0.40 8.94 -10.15 2 4 0 49 272.396 5
Mid Mid (pH 6-8) -0.40 9.25 -45.35 3 4 1 50 273.404 5

Activity (Go SEA)

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