UCSF

ZINC05604297

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2006 14 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) 1.23 0.87 -10.24 2 4 0 67 192.17 1
Mid Mid (pH 6-8) 1.23 1.68 -47.56 1 4 -1 70 191.162 1

Activity (Go SEA)

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

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