UCSF

ZINC53129912

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) -1.55 0.35 -52.9 3 6 1 89 249.294 6
Hi High (pH 8-9.5) -1.55 0.02 -9.64 2 6 0 87 248.286 6
Lo Low (pH 4.5-6) -1.55 0.82 -97.96 4 6 2 90 250.302 6

Activity (Go SEA)

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