UCSF

ZINC00703158

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 31 No

Popular Name: 3-hydroxy-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)carbonyl]-1-(3-pyridinylmethyl)-5-(2-thienyl)-1,5-dihydro-2H-pyrrol-2-one 3-hydroxy-4-[(2-methyl-2,3-dihyd…

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Other Names:

MFCD03861520

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) 2.83 8.8 -40.76 0 6 -1 83 431.493 5 ↓
Mid Mid (pH 6-8) 3.27 -2.58 -26.39 1 6 0 79 432.501 4 ↓
Mid Mid (pH 6-8) 2.24 -2.32 -23.1 0 6 0 76 432.501 5 ↓
Lo Low (pH 4.5-6) 3.27 -2.47 -54.17 2 6 1 80 433.509 4 ↓

Activity (Go SEA)

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