UCSF

ZINC92150235

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2013 17 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) 1.56 5.77 -91.25 0 6 -2 112 293.087 3
Mid Mid (pH 6-8) 1.56 4.39 -51.91 1 6 -1 110 294.095 3

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

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