UCSF

ZINC55034448

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 23 No

Download: MOL2 SDF SMILES Flexibase

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) 1.28 4.11 -11.3 1 7 0 70 321.425 7
Lo Low (pH 4.5-6) 1.28 6.83 -35.77 2 7 1 72 322.433 7

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

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