UCSF

ZINC12363301

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 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) 1.56 3.89 -5.88 0 4 0 29 289.423 3
Lo Low (pH 4.5-6) 1.56 0.04 -194.85 3 4 3 32 292.447 3
Lo Low (pH 4.5-6) 1.56 6.11 -36.68 1 4 1 30 290.431 3
Lo Low (pH 4.5-6) 1.56 6.84 -82.17 2 4 2 31 291.439 3

Activity (Go SEA)

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