UCSF

ZINC35622599

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 30 Yes

Popular Name: (4S)-1-ethyl-6-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]-4-(m-tolyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyr (4S)-1-ethyl-6-[2-(4-methylpiper…

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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) 1.81 6.8 -21.46 1 8 0 76 411.506 4 ↓
Mid Mid (pH 6-8) 1.81 9.16 -58.48 2 8 1 77 412.514 4 ↓

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

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