UCSF

ZINC79494022

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2012 30 Yes

Popular Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-7,8-dimethoxy-5-methyl-pyridazino[4,5-b]indol-4-one 3-(3,4-dihydro-1H-isoquinolin-2-…

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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) 2.67 10.77 -41.81 1 7 1 63 405.478 4 ↓
Mid Mid (pH 6-8) 2.67 8.32 -13.51 0 7 0 62 404.47 4 ↓

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

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