UCSF

ZINC08740989

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 35 No

Popular Name: 4-[hydroxy-(4-methoxyphenyl)-methylene]-1-(3-morpholinopropyl)-5-(3-nitrophenyl)-pyrrolidine-2,3-dio 4-[hydroxy-(4-methoxyphenyl)-met…

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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) 2.52 7.87 -54.66 0 10 -1 128 480.497 9 ↓
Mid Mid (pH 6-8) 2.96 9.03 -52.93 2 10 1 126 482.513 8 ↓
Mid Mid (pH 6-8) 1.93 9.95 -59.04 1 10 1 123 482.513 9 ↓
Mid Mid (pH 6-8) 2.52 10.2 -77.05 1 10 0 129 481.505 9 ↓

Activity (Go SEA)

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