UCSF

ZINC09360289

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Substance Information

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

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

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Other Names:

MFCD04016601

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) 1.98 4.87 -67.94 1 6 -1 90 386.449 8 ↓
Mid Mid (pH 6-8) 1.40 -3.56 -14.41 1 6 0 83 387.457 8 ↓
Lo Low (pH 4.5-6) 1.98 4.05 -19.21 2 6 0 87 387.457 8 ↓

Activity (Go SEA)

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