UCSF

ZINC06382645

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 30 No

Popular Name: 3-hydroxy-4-[(5-methyl-2-furyl)carbonyl]-5-(3-nitrophenyl)-1-(tetrahydrofuran-2-ylmethyl)-5H-pyrrol- 3-hydroxy-4-[(5-methyl-2-furyl)c…

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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) 2.17 8.21 -59.21 0 9 -1 129 411.39 6 ↓
Mid Mid (pH 6-8) 2.61 -0.47 -31.31 1 9 0 125 412.398 5 ↓
Mid Mid (pH 6-8) 1.58 -0.28 -21.77 0 9 0 122 412.398 6 ↓

Activity (Go SEA)

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