UCSF

ZINC42562369

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 15 No

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) -2.12 -2 -16.11 2 6 0 79 213.237 3
Mid Mid (pH 6-8) -2.12 -0.79 -46.99 3 6 1 83 214.245 3
Mid Mid (pH 6-8) -2.12 -0.85 -52.36 3 6 1 83 214.245 3
Mid Mid (pH 6-8) -1.93 -3.45 -44.84 2 6 0 89 213.237 3
Lo Low (pH 4.5-6) -1.93 -3.41 -40.31 2 6 0 89 213.237 3

Activity (Go SEA)

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