UCSF

ZINC64539965

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 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) 4.69 7.52 -44.34 4 6 1 92 464.577 9
Hi High (pH 8-9.5) 4.69 5.6 -8.77 3 6 0 87 463.569 9

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

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