UCSF

ZINC95864861

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2014 18 No

Other Names:

MFCD02683872

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -1.77 4.61 -40.96 3 7 0 126 249.226 4
Mid Mid (pH 6-8) -1.77 4.27 -54.78 2 7 -1 125 248.218 4

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

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