UCSF

ZINC33191425

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2009 22 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) 1.69 6.19 -10.83 1 5 0 54 299.374 6
Lo Low (pH 4.5-6) 1.69 6.46 -40.39 2 5 1 56 300.382 6

Activity (Go SEA)

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