UCSF

ZINC62592133

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 25 No

Popular Name: (2R,4E)-4-[(2E)-2-(5,6-dihydroxyindolin-1-ium-1-ylidene)ethylidene]-2,3-dihydro-1H-pyridine-2,6-dica (2R,4E)-4-[(2E)-2-(5,6-dihydroxy…

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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) -4.73 4.28 -86.23 3 8 -1 136 343.315 3 ↓
Lo Low (pH 4.5-6) -4.73 2.31 -45.53 4 8 0 133 344.323 3 ↓

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

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