UCSF

ZINC01820791

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 30 No

Popular Name: (4R,4aR)-2-amino-4-(3-ethoxy-4-propoxy-phenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitr (4R,4aR)-2-amino-4-(3-ethoxy-4-p…

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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) 4.52 9.54 -12.86 2 6 0 116 402.498 6 ↓
Lo Low (pH 4.5-6) 4.52 9.38 -53.59 3 6 1 117 403.506 6 ↓

Activity (Go SEA)

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