UCSF

ZINC19473197

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 15 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) 1.08 3.28 -88.63 4 4 2 50 217.357 7
Hi High (pH 8-9.5) 1.08 1.79 -37.85 3 4 1 46 216.349 7
Hi High (pH 8-9.5) 1.08 1.22 -41.41 3 4 1 49 216.349 7
Hi High (pH 8-9.5) 1.08 -0.27 -8.86 2 4 0 44 215.341 7

Activity (Go SEA)

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