UCSF

ZINC08579307

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2007 12 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) 1.09 -1.26 -44.42 1 4 -1 69 161.14 0
Lo Low (pH 4.5-6) 1.09 -2.06 -11.35 2 4 0 66 162.148 0

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

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