UCSF

ZINC21509627

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 19 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) 5.68 8.95 -27.91 2 2 0 40 304.261 8
Mid Mid (pH 6-8) 5.68 8.29 -37.52 3 2 1 37 305.269 8

Activity (Go SEA)

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