UCSF

ZINC21528284

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 31 Yes

Popular Name: 4-[[(9aS)-1,4-dioxo-3,6,7,8,9,9a-hexahydropyrido[2,1-c]pyrazin-2-yl]methyl]-N-[2-(dipropylamino)ethy 4-[[(9aS)-1,4-dioxo-3,6,7,8,9,9a…

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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) 2.15 9.89 -53.39 2 7 1 74 429.585 10 ↓
Hi High (pH 8-9.5) 2.15 7.6 -18.55 1 7 0 73 428.577 10 ↓

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

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