UCSF

ZINC06813262

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 31 No

Popular Name: 5-(3-allyloxyphenyl)-1-(3-dimethylaminopropyl)-4-[hydroxy-(5-methyl-2-furyl)-methylene]-pyrrolidine- 5-(3-allyloxyphenyl)-1-(3-dimeth…

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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) 2.83 10.15 -74.49 1 7 0 87 424.497 10 ↓
Mid Mid (pH 6-8) 3.28 2.54 -43.34 2 7 1 84 425.505 9 ↓
Mid Mid (pH 6-8) 2.25 2.62 -47.74 1 7 1 81 425.505 10 ↓

Activity (Go SEA)

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