UCSF

ZINC68002148

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 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) 0.72 2.71 -13.71 1 8 0 99 334.376 9
Lo Low (pH 4.5-6) 0.72 3.16 -46.35 2 8 1 101 335.384 9

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

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