UCSF

ZINC62533134

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 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) 1.98 6.61 -39.57 2 5 1 52 287.424 9
Hi High (pH 8-9.5) 1.98 4.71 -4.86 1 5 0 51 286.416 9

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

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