UCSF

ZINC18180928

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 33 No

Popular Name: (4E,5R)-4-(1,3-benzodioxol-5-yl-hydroxy-methylene)-5-(2,3-dimethoxyphenyl)-1-(2-dimethylaminoethyl)p (4E,5R)-4-(1,3-benzodioxol-5-yl-…

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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) 2.12 7.63 -74.47 1 9 0 102 454.479 8 ↓
Hi High (pH 8-9.5) 2.12 5.1 -58.98 0 9 -1 101 453.471 8 ↓
Mid Mid (pH 6-8) 2.56 6.9 -45.34 2 9 1 99 455.487 7 ↓
Mid Mid (pH 6-8) 1.53 7.34 -43.98 1 9 1 96 455.487 8 ↓

Activity (Go SEA)

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