UCSF

ZINC22693471

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 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) 0.87 1.46 -8.72 1 6 0 67 292.383 5
Mid Mid (pH 6-8) 0.87 3.62 -44.48 2 6 1 69 293.391 5

Activity (Go SEA)

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