UCSF

ZINC65506015

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 24 Yes

Popular Name: 1-(2,3,3a,4,5,6-hexahydro-1H-pyrrolo[3,4-c]pyrrole-6a-carbonyl)-4-phenyl-piperidine-4-carbonitrile 1-(2,3,3a,4,5,6-hexahydro-1H-pyr…

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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) 1.25 3.88 -61.28 3 5 1 73 325.436 2 ↓
Lo Low (pH 4.5-6) 1.25 5.33 -131.3 4 5 2 77 326.444 2 ↓

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

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