UCSF

ZINC69484969

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 22 Yes

Popular Name: [4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-1-piperidyl]-[(2S)-1-methylpyrrolidin-2-yl]met [4-(6,7-dihydro-5H-pyrrolo[2,1-c…

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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) 0.12 8.77 -44.93 1 6 1 55 304.418 2 ↓
Hi High (pH 8-9.5) 0.12 6.76 -20.11 0 6 0 54 303.41 2 ↓

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

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