UCSF

ZINC33582191

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 31 No

Popular Name: (2S)-1-(2-dimethylaminoethyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-2-(4-isopropoxyphenyl)-2H-py (2S)-1-(2-dimethylaminoethyl)-3-…

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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) 2.65 11.11 -76.77 1 7 0 87 424.497 9 ↓
Hi High (pH 8-9.5) 2.65 8.58 -61.01 0 7 -1 86 423.489 9 ↓
Lo Low (pH 4.5-6) 2.65 10.14 -52.86 2 7 1 84 425.505 9 ↓

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