UCSF

ZINC63957740

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 28 Yes

Popular Name: (5S)-5-[3-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propyl]-1,4-dimethyl-2,5-dihydropyrazolo (5S)-5-[3-(7-hydroxy-3,4-dihydro…

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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) 1.16 1.39 -45.01 1 8 -1 111 381.412 3 ↓
Mid Mid (pH 6-8) 0.70 3.31 -16.92 2 8 0 108 382.42 3 ↓

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

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