UCSF

ZINC55455494

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 3.11 3.6 -41.12 2 7 -1 111 395.414 4
Lo Low (pH 4.5-6) 2.65 5.55 -12.9 3 7 0 108 396.422 4

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

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