UCSF

ZINC67974059

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 25 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) 1.13 3.63 -12.09 3 8 0 104 358.789 2
Lo Low (pH 4.5-6) 1.13 4.07 -29.7 4 8 1 105 359.797 2

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

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