UCSF

ZINC41532916

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 25 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) 2.66 7.02 -46.56 2 5 1 46 348.511 9
Lo Low (pH 4.5-6) 2.66 9.41 -109.46 3 5 2 47 349.519 9
Lo Low (pH 4.5-6) 2.66 6.96 -43.32 2 5 1 46 348.511 9

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

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