UCSF

ZINC08817922

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 38 No

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

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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) 2.87 7.42 -61.74 0 9 -1 101 521.59 12 ↓
Mid Mid (pH 6-8) 2.29 10.01 -54.2 1 9 1 96 523.606 12 ↓
Mid Mid (pH 6-8) 3.32 10.03 -51.28 2 9 1 99 523.606 11 ↓
Mid Mid (pH 6-8) 2.87 9.74 -76.51 1 9 0 102 522.598 12 ↓

Activity (Go SEA)

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