UCSF

ZINC09560767

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 33 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) 4.35 -3.02 -21.38 2 9 0 123 469.519 5
Hi High (pH 8-9.5) 4.35 -2.48 -56.3 1 9 -1 125 468.511 5

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

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