UCSF

ZINC19743727

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 20 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) -0.30 1.67 -12.02 1 6 0 61 278.356 2
Lo Low (pH 4.5-6) -0.30 3.9 -51.33 2 6 1 63 279.364 2
Lo Low (pH 4.5-6) -0.30 3.89 -41.15 2 6 1 63 279.364 2

Activity (Go SEA)

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