UCSF

ZINC37842172

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) -0.34 3.47 -41.93 2 6 1 57 280.396 5
Lo Low (pH 4.5-6) -0.34 5.95 -102.28 3 6 2 58 281.404 5
Lo Low (pH 4.5-6) -0.34 3.56 -41.44 2 6 1 57 280.396 5

Activity (Go SEA)

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