UCSF

ZINC13570954

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 28 No

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

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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) 1.47 8.89 -77.5 1 7 0 91 383.448 8 ↓
Hi High (pH 8-9.5) 1.47 6.67 -66.38 0 7 -1 90 382.44 8 ↓
Lo Low (pH 4.5-6) 1.47 9.26 -98.66 2 7 1 92 384.456 8 ↓

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