UCSF

ZINC16944680

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 34 No

Popular Name: 4-{[4-hydroxy-1-[2-(4-morpholinyl)ethyl]-5-oxo-2-(2-thienyl)-2,5-dihydro-1H-pyrrol-3-yl]carbonyl}-N,N-dimethylbenzenesulfonamide 4-{[4-hydroxy-1-[2-(4-morpholiny…

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Other Names:

MFCD03009139

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) 1.47 3.88 -59.45 0 9 -1 110 504.61 8 ↓
Mid Mid (pH 6-8) 1.91 5.36 -48.39 2 9 1 109 506.626 7 ↓
Mid Mid (pH 6-8) 1.47 6.22 -74.48 1 9 0 111 505.618 8 ↓

Activity (Go SEA)

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