UCSF

ZINC28527186

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2009 22 Yes

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) 0.25 6.35 -16.96 2 8 0 101 299.29 3
Hi High (pH 8-9.5) 0.70 4.52 -50.66 1 8 -1 104 298.282 3

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

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