UCSF

ZINC08441933

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 32 No

Popular Name: 6-amino-8-(3-methoxy-4-propoxyphenyl)-2-propyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile 6-amino-8-(3-methoxy-4-propoxyph…

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Other Names:

MFCD01789718

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) 3.77 7.86 -10.38 2 7 0 119 431.54 7 ↓
Mid Mid (pH 6-8) 3.85 2.81 -119.31 3 7 2 119 433.556 7 ↓
Lo Low (pH 4.5-6) 3.77 7.67 -51.45 3 7 1 121 432.548 7 ↓

Activity (Go SEA)

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