UCSF

ZINC02092033

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 31 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) 3.40 9.5 -21.92 2 7 0 83 422.529 4
Hi High (pH 8-9.5) 2.66 5.59 -26.75 2 7 0 90 422.529 5

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

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