UCSF

ZINC69237257

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 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) 2.86 7.77 -109.79 4 2 2 32 240.435 6
Hi High (pH 8-9.5) 2.86 7.4 -29.68 3 2 1 30 239.427 6
Hi High (pH 8-9.5) 2.86 6.2 -42.89 3 2 1 31 239.427 6

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

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