UCSF

ZINC09358836

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 27 No

Popular Name: 5-(2-chlorophenyl)-3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one 5-(2-chlorophenyl)-3-hydroxy-1-[…

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Other Names:

MFCD04007770

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) 2.17 4.49 -66.04 1 6 -1 90 406.867 8 ↓
Mid Mid (pH 6-8) 2.17 5.01 -15.77 2 6 0 87 407.875 8 ↓
Mid Mid (pH 6-8) 1.58 5.47 -14.21 1 6 0 84 407.875 8 ↓

Activity (Go SEA)

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