UCSF

ZINC20234269

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 29 No

Popular Name: (5S)-5-(3-allyloxyphenyl)-1-(2-dimethylaminoethyl)-4-(furan-2-carbonyl)-3-hydroxy-5H-pyrrol-2-one (5S)-5-(3-allyloxyphenyl)-1-(2-d…

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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) 2.34 8.97 -72.42 1 7 0 87 396.443 9 ↓
Hi High (pH 8-9.5) 2.34 6.44 -58.33 0 7 -1 86 395.435 9 ↓
Lo Low (pH 4.5-6) 2.34 8.15 -50.13 2 7 1 84 397.451 9 ↓

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