UCSF

ZINC39849454

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Substance Information

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

Popular Name: (2S)-2-(3-bromophenyl)-3-[(E)-3-(2-furyl)prop-2-enoyl]-4-hydroxy-1-(2-morpholinoethyl)-2H-pyrrol-5-o (2S)-2-(3-bromophenyl)-3-[(E)-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) 2.49 7.91 -61.68 0 7 -1 86 486.342 7 ↓
Mid Mid (pH 6-8) 2.49 10.18 -74.74 1 7 0 87 487.35 7 ↓
Lo Low (pH 4.5-6) 2.49 9.29 -53.42 2 7 1 84 488.358 7 ↓

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