UCSF

ZINC44723175

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 17 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) 0.69 3.62 -35.49 3 4 1 46 238.355 6
Lo Low (pH 4.5-6) 0.69 4.82 -101.17 4 4 2 50 239.363 6
Lo Low (pH 4.5-6) 0.69 2.52 -38.84 3 4 1 49 238.355 6

Activity (Go SEA)

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