UCSF

ZINC05587134

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2006 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) 2.39 6.53 -7.62 0 3 0 39 239.274 1
Lo Low (pH 4.5-6) 2.39 6.83 -40.47 1 3 1 40 240.282 1

Activity (Go SEA)

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