UCSF

ZINC21813179

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 18 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) -1.29 0.41 -60.55 4 6 1 100 273.334 6
Hi High (pH 8-9.5) -1.29 0.12 -11.44 3 6 0 98 272.326 6

Activity (Go SEA)

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