UCSF

ZINC09302056

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2007 34 No

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

Find On: PubMed — Wikipedia — Google

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) 1.29 4.76 -50.27 1 10 -1 128 470.502 9 ↓
Mid Mid (pH 6-8) 1.74 7.71 -50.46 3 10 1 127 472.518 8 ↓
Mid Mid (pH 6-8) 0.71 -0.55 -52.69 2 10 1 123 472.518 9 ↓
Mid Mid (pH 6-8) 1.29 7.05 -68.74 2 10 0 129 471.51 9 ↓

Activity (Go SEA)

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