UCSF

ZINC70669971

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2011 38 No

Popular Name: 6-hydroxy-5-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3-methyl-2- 6-hydroxy-5-[(5R)-4-methoxy-6-me…

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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) 2.39 8.83 -35.42 1 11 0 110 543.598 6 ↓
Hi High (pH 8-9.5) 2.39 6.83 -42.53 0 11 -1 109 542.59 6 ↓
Hi High (pH 8-9.5) 2.39 6.93 -42.58 0 11 -1 109 542.59 6 ↓

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

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