UCSF

ZINC40771593

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 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) 1.73 4.86 -39.2 4 4 1 55 235.355 4
Mid Mid (pH 6-8) 1.73 5.32 -88.7 5 4 2 57 236.363 4

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

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