UCSF

ZINC04817825

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2006 31 No

Popular Name: 1-(2-furylmethyl)-3-hydroxy-5-(4-isopropylphenyl)-4-(4-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one 1-(2-furylmethyl)-3-hydroxy-5-(4…

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Other Names:

MFCD03213508

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) 4.99 12.2 -60.21 0 5 -1 74 414.481 6 ↓
Mid Mid (pH 6-8) 4.41 12.22 -17.89 0 5 0 68 415.489 6 ↓
Mid Mid (pH 6-8) 5.44 11.25 -25.64 1 5 0 71 415.489 5 ↓

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