UCSF

ZINC08441892

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 33 No

Popular Name: 6-amino-8-(3-ethoxy-4-propoxyphenyl)-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile 6-amino-8-(3-ethoxy-4-propoxyphe…

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Other Names:

MFCD03301199

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) 4.14 8.9 -10.18 2 7 0 119 445.567 8 ↓
Mid Mid (pH 6-8) 4.23 2.92 -119.63 3 7 2 119 447.583 8 ↓
Lo Low (pH 4.5-6) 4.14 8.74 -51.32 3 7 1 121 446.575 8 ↓

Activity (Go SEA)

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