UCSF

ZINC67755323

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2011 28 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) 2.38 8.43 -47.89 1 7 1 69 382.44 4
Hi High (pH 8-9.5) 2.38 6.51 -16.25 0 7 0 68 381.432 4

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

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