UCSF

ZINC08988172

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 33 No

Popular Name: ethyl 4-{[1-[3-(dimethylamino)propyl]-4-hydroxy-2-(5-methyl-2-furyl)-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]carbonyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate ethyl 4-{[1-[3-(dimethylamino)pr…

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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) 2.05 10.41 -79.88 2 9 0 120 457.527 10 ↓
Mid Mid (pH 6-8) 1.46 9.76 -49.73 2 9 1 114 458.535 10 ↓
Mid Mid (pH 6-8) 2.49 9.32 -49.56 3 9 1 117 458.535 9 ↓

Activity (Go SEA)

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