UCSF

ZINC36333655

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 9 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) 0.29 4.31 -39.97 1 2 1 22 126.179 2
Hi High (pH 8-9.5) 0.29 1.79 -3.98 0 2 0 20 125.171 2

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

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