UCSF

ZINC39849482

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 32 No

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

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Download: MOL2 SDF SMILES Flexibase

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) 2.42 8.75 -62.07 0 7 -1 86 435.5 8 ↓
Mid Mid (pH 6-8) 2.42 11.01 -77.32 1 7 0 87 436.508 8 ↓
Lo Low (pH 4.5-6) 2.42 10.13 -50.33 2 7 1 84 437.516 8 ↓

Activity (Go SEA)

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