UCSF

ZINC21531058

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 33 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) 2.52 7.86 -46.72 3 9 1 101 461.631 11
Hi High (pH 8-9.5) 2.52 5.54 -13.39 2 9 0 100 460.623 11

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

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