UCSF

ZINC62604897

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 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) -1.11 6.2 -37.66 3 7 0 107 300.384 8
Hi High (pH 8-9.5) -1.11 5.32 -44.67 2 7 -1 103 299.376 8

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

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