UCSF

ZINC17086238

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2008 22 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) 1.13 1.96 -17.37 2 7 0 96 296.286 3
Hi High (pH 8-9.5) 1.59 0.06 -55.53 1 7 -1 100 295.278 3

Activity (Go SEA)

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