UCSF

ZINC13282277

Substance Information

In ZINC since Heavy atoms Benign functionality
June 14th, 2008 16 No

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) -0.12 5.88 -50.81 2 7 1 91 227.244 5
Mid Mid (pH 6-8) -0.12 6.36 -93.52 3 7 2 92 228.252 5

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

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