UCSF

ZINC34687802

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 33 No

Popular Name: (4R,4aS,6R)-2-amino-6-tert-butyl-4-(3,4-diethoxyphenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tri (4R,4aS,6R)-2-amino-6-tert-butyl…

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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) 5.35 10.16 -9.61 2 6 0 116 444.579 6 ↓
Lo Low (pH 4.5-6) 5.35 9.98 -47.85 3 6 1 117 445.587 6 ↓

Activity (Go SEA)

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