UCSF

ZINC67541900

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 28 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) 1.32 6.57 -27.89 1 8 0 118 373.372 5
Mid Mid (pH 6-8) 2.23 4.58 -51.91 0 8 -1 121 372.364 5

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

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