UCSF

ZINC71551997

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2011 19 Yes

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) 0.33 5.21 -11.55 0 5 0 41 258.325 1
Mid Mid (pH 6-8) 0.33 7.57 -48.2 1 5 1 42 259.333 1
Lo Low (pH 4.5-6) 0.33 8.01 -85.56 2 5 2 43 260.341 1

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

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