UCSF

ZINC36776355

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 18 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) -0.39 3.91 -55.03 0 6 -1 90 271.318 7
Lo Low (pH 4.5-6) -0.39 4.37 -71.85 1 6 0 92 272.326 7

Activity (Go SEA)

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