UCSF

ZINC39849117

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 31 No

Popular Name: (2S)-1-[3-(diethylamino)propyl]-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2-(2-pyridyl)-2H-pyrrol-5-one (2S)-1-[3-(diethylamino)propyl]-…

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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) 2.63 11.69 -58.86 1 6 0 78 419.525 10 ↓
Mid Mid (pH 6-8) 2.63 13.07 -108.56 2 6 1 79 420.533 10 ↓
Lo Low (pH 4.5-6) 2.63 12.17 -109.12 3 6 2 76 421.541 10 ↓
Lo Low (pH 4.5-6) 2.63 10.93 -39.99 2 6 1 75 420.533 10 ↓

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