UCSF

ZINC44722567

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) 0.72 3.89 -35.35 3 4 1 46 240.371 5
Lo Low (pH 4.5-6) 0.72 5.07 -100.43 4 4 2 50 241.379 5
Lo Low (pH 4.5-6) 0.72 2.78 -38.54 3 4 1 49 240.371 5

Activity (Go SEA)

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