UCSF

ZINC66946152

Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2011 24 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) 2.07 10.89 -56.98 1 4 1 38 326.464 8
Hi High (pH 8-9.5) 2.07 8.42 -9.85 0 4 0 36 325.456 8

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

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