UCSF

ZINC05385784

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 13 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.34 1.87 -35.51 0 7 -1 92 176.115 0
Mid Mid (pH 6-8) -0.80 2.37 -17.79 1 7 0 89 177.123 0

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

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