UCSF

ZINC16857246

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2008 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) 1.84 5.6 -62.92 1 5 -1 86 271.296 5
Hi High (pH 8-9.5) 2.29 4.57 -113.71 0 5 -2 89 270.288 5

Activity (Go SEA)

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