UCSF

ZINC57956477

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 28 Yes

Popular Name: 2-[(4-isobutyl-5-morpholino-1,2,4-triazol-3-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one 2-[(4-isobutyl-5-morpholino-1,2,…

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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) 2.72 11.44 -18.28 0 8 0 78 400.508 6 ↓
Lo Low (pH 4.5-6) 2.72 11.85 -42.19 1 8 1 79 401.516 6 ↓

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

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