UCSF

ZINC53663405

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 18 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) 1.38 5.88 -88.8 4 4 2 58 244.342 2
Hi High (pH 8-9.5) 1.38 5.75 -33.7 3 4 1 57 243.334 2
Mid Mid (pH 6-8) 1.38 5.86 -86.38 4 4 2 58 244.342 2

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

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