UCSF

ZINC55023924

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 22 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) 1.94 9.11 -8.83 2 6 0 71 304.373 6
Lo Low (pH 4.5-6) 1.94 11.44 -43.87 3 6 1 72 305.381 6
Lo Low (pH 4.5-6) 1.94 9.66 -29.91 3 6 1 72 305.381 6

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

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