UCSF

ZINC56874891

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 28 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) -4.21 -2.31 -311.56 12 10 4 168 407.556 8
Hi High (pH 8-9.5) -4.21 -1.86 -98.37 10 10 2 165 405.54 8
Hi High (pH 8-9.5) -4.21 -2.14 -46.64 9 10 1 163 404.532 8

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

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