UCSF

ZINC39698315

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2010 7 No

Other Names:

MFCD00022384

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) -0.97 -7.33 -5.18 3 4 0 71 99.093 0
Mid Mid (pH 6-8) -0.98 -5.11 -6.96 2 4 0 68 99.093 0
Mid Mid (pH 6-8) -0.97 -7.03 -44.48 4 4 1 73 100.101 0

Activity (Go SEA)

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

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