UCSF

ZINC09491285

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2007 24 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) 3.75 -8.08 -12.57 2 6 0 92 480.349 6
Hi High (pH 8-9.5) 3.75 -7.51 -38.35 1 6 -1 94 479.341 6
Hi High (pH 8-9.5) 3.75 -7.6 -40.27 1 6 -1 94 479.341 6
Hi High (pH 8-9.5) 3.75 -7.02 -91.01 0 6 -2 96 478.333 6

Activity (Go SEA)

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