UCSF

ZINC39849498

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 34 No

Popular Name: (2S)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-(3-morpholinopropyl)-2-(4-nitrophenyl)-2H-pyrrol-5- (2S)-3-[(E)-3-(2-furyl)prop-2-en…

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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) 1.93 8.4 -58.41 0 10 -1 132 466.47 9 ↓
Mid Mid (pH 6-8) 1.93 10.66 -74.89 1 10 0 133 467.478 9 ↓
Lo Low (pH 4.5-6) 1.93 9.78 -55.26 2 10 1 130 468.486 9 ↓

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