UCSF

ZINC23282441

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 17 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) 1.99 6.27 -5.28 1 2 0 25 224.307 3
Lo Low (pH 4.5-6) 1.99 6.7 -35.98 2 2 1 26 225.315 3
Lo Low (pH 4.5-6) 1.99 7.57 -52.31 2 2 1 29 225.315 3

Activity (Go SEA)

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