UCSF

ZINC17112368

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 27 No

Popular Name: (4E,5S)-1-(2-dimethylaminoethyl)-4-[hydroxy-(p-tolyl)methylene]-5-(5-methyl-2-furyl)pyrrolidine-2,3- (4E,5S)-1-(2-dimethylaminoethyl)…

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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) 2.34 9.08 -72.89 1 6 0 78 368.433 6 ↓
Hi High (pH 8-9.5) 2.34 6.55 -60.74 0 6 -1 77 367.425 6 ↓
Lo Low (pH 4.5-6) 2.34 8.26 -49.45 2 6 1 75 369.441 6 ↓

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