UCSF

ZINC17918674

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2008 28 No

Popular Name: 4-acetyl-3-hydroxy-5-(4-hydroxy-3-methoxyphenyl)-1-[3-(4-morpholinyl)propyl]-1,5-dihydro-2H-pyrrol-2-one 4-acetyl-3-hydroxy-5-(4-hydroxy-…

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Other Names:

MFCD02231524

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) 0.26 1.93 -42.81 1 8 -1 102 389.428 7 ↓
Mid Mid (pH 6-8) 0.26 4.26 -56.01 2 8 0 104 390.436 7 ↓
Lo Low (pH 4.5-6) 0.26 3.44 -45.69 3 8 1 101 391.444 7 ↓

Activity (Go SEA)

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