UCSF

ZINC62323575

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2011 24 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) 2.61 7.61 -16.16 1 5 0 54 331.391 8
Lo Low (pH 4.5-6) 2.61 8.08 -51.24 2 5 1 56 332.399 8

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

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