UCSF

ZINC37803749

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 20 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) -0.04 2.98 -55.85 4 6 1 94 295.388 4
Hi High (pH 8-9.5) 0.42 0.09 -73.32 3 6 0 97 294.38 4
Hi High (pH 8-9.5) 0.42 -0.32 -61.51 2 6 -1 95 293.372 4

Activity (Go SEA)

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