UCSF

ZINC59410263

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2011 34 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) 7.25 14.13 -23.78 2 5 0 67 449.554 6
Lo Low (pH 4.5-6) 7.25 14.56 -39.58 3 5 1 68 450.562 6

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

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