UCSF

ZINC44134106

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 21 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) 2.47 5.56 -6.84 1 3 0 36 284.403 5
Lo Low (pH 4.5-6) 2.47 8 -46.28 2 3 1 38 285.411 5
Lo Low (pH 4.5-6) 2.47 6.02 -35.47 2 3 1 38 285.411 5

Activity (Go SEA)

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