UCSF

ZINC64531854

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 28 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) 0.46 7.3 -47.66 2 10 -1 140 402.412 6
Hi High (pH 8-9.5) 0.53 5.96 -105.82 1 10 -2 146 401.404 6
Lo Low (pH 4.5-6) 0.46 7.76 -66.77 3 10 0 141 403.42 6

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

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