UCSF

ZINC20739238

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 23 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) 0.22 2.94 -20.89 2 6 0 77 307.357 3
Mid Mid (pH 6-8) 0.22 3.37 -37.47 3 6 1 78 308.365 3
Lo Low (pH 4.5-6) 0.22 3.83 -92.01 4 6 2 80 309.373 3

Activity (Go SEA)

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