UCSF

ZINC65505659

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 23 Yes

Popular Name: N-[[1-[2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]-3-methyl-pyrazol-4-yl]me N-[[1-[2-[(8aR)-3,4,6,7,8,8a-hex…

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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) 0.81 6.38 -35.73 1 5 1 29 316.473 6 ↓
Hi High (pH 8-9.5) 0.81 4.22 -7.25 0 5 0 28 315.465 6 ↓
Lo Low (pH 4.5-6) 0.81 8.74 -79.51 2 5 2 30 317.481 6 ↓

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

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