UCSF

ZINC21720838

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 23 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) 2.49 7.92 -46.65 2 5 1 60 317.409 5
Hi High (pH 8-9.5) 2.49 8.87 -53.92 1 5 0 63 316.401 5

Activity (Go SEA)

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