UCSF

ZINC63003372

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2011 17 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) 3.82 7.45 -35.02 2 2 1 26 234.363 4
Hi High (pH 8-9.5) 3.82 6.37 -2.3 1 2 0 21 233.355 4

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

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