UCSF

ZINC52892952

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 28 No

Popular Name: 2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1-[4-(2-nitrophenyl)piperazin-1-yl]ethan 2-[(1R)-1-methyl-3,4-dihydro-1H-…

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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) 2.23 9.55 -14.06 0 8 0 78 383.452 4 ↓
Mid Mid (pH 6-8) 2.23 11.6 -44.79 1 8 1 79 384.46 4 ↓

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

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