UCSF

ZINC43411095

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 15 No

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) -0.52 0.61 -37.07 3 5 1 63 214.289 4
Hi High (pH 8-9.5) -0.52 -1.5 -7.92 2 5 0 61 213.281 4
Hi High (pH 8-9.5) -0.33 -2.99 -37.7 2 5 0 72 213.281 4
Hi High (pH 8-9.5) -0.52 -1.49 -6.67 2 5 0 61 213.281 4
Lo Low (pH 4.5-6) -0.52 1.7 -120.12 4 5 2 67 215.297 4

Activity (Go SEA)

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