UCSF

ZINC42562371

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 -1.88 -15.94 2 6 0 79 213.237 3
Mid Mid (pH 6-8) -2.12 -0.76 -46.75 3 6 1 83 214.245 3
Mid Mid (pH 6-8) -2.12 -0.87 -52.51 3 6 1 83 214.245 3
Mid Mid (pH 6-8) -1.93 -3.33 -39.35 2 6 0 89 213.237 3
Lo Low (pH 4.5-6) -1.93 -3.39 -44.41 2 6 0 89 213.237 3

Activity (Go SEA)

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