UCSF

ZINC44830704

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 35 Yes

Popular Name: (1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-y (1R)-1-[[(2S,3R,11bS)-3-ethyl-9,…

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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) 4.48 11.55 -114.47 3 6 2 57 482.665 6 ↓
Hi High (pH 8-9.5) 4.48 11.68 -42.65 2 6 1 56 481.657 6 ↓
Hi High (pH 8-9.5) 4.48 9.52 -10.92 1 6 0 54 480.649 6 ↓

Activity (Go SEA)

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