UCSF

ZINC54797725

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 12 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) 0.68 4.25 -36.37 3 3 1 45 166.248 4
Hi High (pH 8-9.5) 0.68 2.87 -7.11 2 3 0 41 165.24 4
Lo Low (pH 4.5-6) 0.68 4.69 -100.3 4 3 2 47 167.256 4

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

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