UCSF

ZINC21050447

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 21 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) 4.52 8.07 -38.35 2 3 1 29 293.475 10
Mid Mid (pH 6-8) 4.52 10.35 -119.36 3 3 2 30 294.483 10

Activity (Go SEA)

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