UCSF

ZINC41237985

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 23 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) -0.45 -1.15 -53.57 1 10 -1 146 363.397 7
Lo Low (pH 4.5-6) -0.45 -1.2 -21.02 2 10 0 144 364.405 7

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

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