UCSF

ZINC02118107

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 34 No

Popular Name: (4R,4aR,6R)-2-amino-6-tert-butyl-4-(3-ethoxy-4-propoxy-phenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1, (4R,4aR,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) 5.85 11.4 -12.69 2 6 0 116 458.606 7 ↓
Lo Low (pH 4.5-6) 5.85 11.2 -47.88 3 6 1 117 459.614 7 ↓

Activity (Go SEA)

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