UCSF

ZINC02494391

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 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) 2.33 8.97 -10.7 0 3 0 27 234.274 6
Mid Mid (pH 6-8) 2.33 9.48 -37.14 1 3 1 28 235.282 6

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

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