UCSF

ZINC37503227

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 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) 2.30 5.98 -8.38 1 2 0 25 248.276 5
Lo Low (pH 4.5-6) 2.30 7.84 -103.26 3 2 2 31 250.292 5
Lo Low (pH 4.5-6) 2.30 7.37 -48.95 2 2 1 29 249.284 5
Lo Low (pH 4.5-6) 2.30 6.45 -37.28 2 2 1 26 249.284 5

Activity (Go SEA)

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