UCSF

ZINC37111918

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 No

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) 4.39 11.24 -5.47 0 2 0 16 276.811 5
Mid Mid (pH 6-8) 4.39 11.49 -23.41 1 2 1 17 277.819 5

Activity (Go SEA)

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