UCSF

ZINC34552398

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 18 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) 4.46 9.58 -76.61 3 3 0 68 257.418 14
Lo Low (pH 4.5-6) 4.46 7.61 -44.69 4 3 1 65 258.426 14

Activity (Go SEA)

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