UCSF

ZINC22769985

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 24 No

Popular Name: 5-diethylamino-2-[(E)-[1,2,4]triazolo[4,5-a]pyridin-3-ylmethyliminomethyl]phenol 5-diethylamino-2-[(E)-[1,2,4]tri…

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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) 2.88 8.85 -40.64 2 6 1 68 324.408 6 ↓
Mid Mid (pH 6-8) 2.88 8 -15.05 1 6 0 66 323.4 6 ↓
Lo Low (pH 4.5-6) 2.88 8.91 -32.28 3 6 0 69 325.416 6 ↓

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

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