UCSF

ZINC04244135

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 12 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) 1.61 3.37 -6.13 2 2 0 39 176.244 1
Mid Mid (pH 6-8) 1.61 3.64 -28.46 3 2 1 40 177.252 1

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

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