UCSF

ZINC26148215

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 25 No

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) 3.27 6.48 -45.31 0 6 -1 86 441.208 2
Lo Low (pH 4.5-6) 3.93 7.15 -14.61 2 6 0 88 442.216 3

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

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