UCSF

ZINC32114354

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 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) -0.34 4.77 -51.77 0 6 -1 83 265.289 8
Lo Low (pH 4.5-6) -0.34 3.65 -10.88 1 6 0 80 266.297 8
Lo Low (pH 4.5-6) -0.34 5.18 -72.92 1 6 0 84 266.297 8

Activity (Go SEA)

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