UCSF

ZINC42922798

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 37 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) 0.61 -0.39 -62.72 7 11 0 181 516.547 7
Mid Mid (pH 6-8) 0.61 -1.56 -52.59 6 11 -1 177 515.539 7
Lo Low (pH 4.5-6) 0.61 -2.27 -56.7 8 11 1 178 517.555 7

Activity (Go SEA)

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