UCSF

ZINC09007979

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 35 No

Popular Name: 5-(3-allyloxyphenyl)-1-(3-dimethylaminopropyl)-4-[hydroxy-(4-isopropoxyphenyl)-methylene]-pyrrolidin 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) 4.15 12.44 -75.61 1 7 0 83 478.589 12 ↓
Mid Mid (pH 6-8) 3.57 12.64 -47.12 1 7 1 77 479.597 12 ↓
Mid Mid (pH 6-8) 4.60 12.58 -47.55 2 7 1 81 479.597 11 ↓

Activity (Go SEA)

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