UCSF

ZINC19841274

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 24 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) 4.48 9.89 -44.05 1 3 1 17 410.763 5
Mid Mid (pH 6-8) 4.48 9.83 -43.8 1 3 1 17 410.763 5
Mid Mid (pH 6-8) 4.48 7.51 -5.81 0 3 0 16 409.755 5

Activity (Go SEA)

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