UCSF

ZINC05563893

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 25 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) 3.31 8.7 -12.48 2 6 0 69 364.467 7
Hi High (pH 8-9.5) 2.55 7.63 -36.84 1 6 -1 75 363.459 6

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

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