UCSF

ZINC85474963

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2013 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) -2.08 -3.58 -49.9 5 8 1 114 269.281 2
Lo Low (pH 4.5-6) -2.08 -3.12 -97.35 6 8 2 115 270.289 2

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

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