UCSF

ZINC67741899

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 24 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) 2.20 4.79 -16.92 3 6 0 87 325.368 5
Mid Mid (pH 6-8) 2.20 5.59 -42.05 4 6 1 88 326.376 5

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

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