UCSF

ZINC19233154

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 19 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) 3.39 9.66 -38.42 2 2 1 16 261.433 5
Mid Mid (pH 6-8) 3.39 10.65 -122.48 3 2 2 21 262.441 5
Mid Mid (pH 6-8) 3.39 8.78 -32.85 2 2 1 20 261.433 5

Activity (Go SEA)

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