UCSF

ZINC12401407

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 32 No

Popular Name: N-[[(3R,11bS)-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydropyrido[2,1-a]isoquinolin-2-ylidene]am N-[[(3R,11bS)-3-isobutyl-9,10-di…

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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) 3.13 7.97 -16.28 1 7 0 76 436.556 6 ↓
Mid Mid (pH 6-8) 3.13 9.96 -61.38 2 7 1 77 437.564 6 ↓
Mid Mid (pH 6-8) 3.13 9.93 -60.7 2 7 1 77 437.564 6 ↓

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Rings

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