UCSF

ZINC70287850

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2011 20 Yes

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) 0.45 1.77 -44.1 3 5 1 59 279.36 3
Hi High (pH 8-9.5) 0.45 1.4 -5.47 2 5 0 57 278.352 3
Lo Low (pH 4.5-6) 0.45 3.43 -109.39 4 5 2 60 280.368 3

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

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