UCSF

ZINC01022146

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 27 No

Popular Name: 2-amino-4-(3,4-dimethoxyphenyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile 2-amino-4-(3,4-dimethoxyphenyl)-…

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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) 3.26 6.92 -13.28 2 6 0 116 360.417 3 ↓
Lo Low (pH 4.5-6) 3.26 6.76 -53.79 3 6 1 117 361.425 3 ↓

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