UCSF

ZINC04913809

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 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) 1.94 4.52 -16.46 1 5 0 68 310.35 4
Mid Mid (pH 6-8) 1.94 4.77 -49.43 0 5 -1 70 309.342 4

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.