UCSF

ZINC06781919

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2006 31 No

Popular Name: 1-(3-dimethylaminopropyl)-4-[hydroxy-(4-isopropoxyphenyl)-methylene]-5-(3-pyridyl)pyrrolidine-2,3-di 1-(3-dimethylaminopropyl)-4-[hyd…

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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) 2.24 9.89 -77.21 1 7 0 87 423.513 9 ↓
Mid Mid (pH 6-8) 2.68 1.34 -49.22 2 7 1 84 424.521 8 ↓
Lo Low (pH 4.5-6) 2.68 1.15 -108.85 3 7 2 85 425.529 8 ↓
Lo Low (pH 4.5-6) 2.68 1.45 -98.5 3 7 2 85 425.529 8 ↓

Activity (Go SEA)

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