UCSF

ZINC09176730

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2007 37 No

Popular Name: 4-[(4-allyloxyphenyl)-hydroxy-methylene]-1-(3-morpholinopropyl)-5-(4-nitrophenyl)-pyrrolidine-2,3-di 4-[(4-allyloxyphenyl)-hydroxy-me…

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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) 3.18 8.85 -57.46 0 10 -1 128 506.535 11 ↓
Mid Mid (pH 6-8) 2.60 0.43 -57.67 1 10 1 123 508.551 11 ↓
Mid Mid (pH 6-8) 3.63 11.88 -57.28 2 10 1 126 508.551 10 ↓
Mid Mid (pH 6-8) 3.18 11.19 -72.6 1 10 0 129 507.543 11 ↓

Activity (Go SEA)

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