UCSF

ZINC34155547

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2009 10 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) 1.24 2 -37.62 0 4 -1 53 139.182 2
Lo Low (pH 4.5-6) 1.24 2.42 -8.28 1 4 0 54 140.19 2
Lo Low (pH 4.5-6) 1.24 2.01 -4.75 1 4 0 54 140.19 2

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

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