UCSF

ZINC21794769

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 4.23 7.9 -37.66 2 3 1 33 279.448 9
Mid Mid (pH 6-8) 4.23 10.06 -122.54 3 3 2 34 280.456 9
Mid Mid (pH 6-8) 4.23 10.02 -29.64 2 3 1 30 279.448 9

Activity (Go SEA)

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