UCSF

ZINC20589654

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) 2.75 8.35 -35.91 1 4 1 44 271.388 3
Mid Mid (pH 6-8) 2.75 5.97 -6.87 0 4 0 43 270.38 3

Activity (Go SEA)

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