UCSF

ZINC54905543

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2010 19 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) 2.09 7.61 -82.06 3 4 2 37 284.473 4
Hi High (pH 8-9.5) 2.09 6.33 -37.14 2 4 1 33 283.465 4
Hi High (pH 8-9.5) 2.09 3.95 -6.24 1 4 0 31 282.457 4

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

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