UCSF

ZINC36034339

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2009 35 No

Popular Name: (1R,3S,3aR,6aS)-1-(2-hydroxy-4-methoxy-phenyl)-5-(1-naphthyl)-4,6-dioxo-3-propyl-1,2,3a,6a-tetrahydr (1R,3S,3aR,6aS)-1-(2-hydroxy-4-m…

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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) 2.41 10.63 -52.01 3 8 0 124 474.513 6 ↓
Hi High (pH 8-9.5) 2.41 11.39 -60.78 2 8 -1 126 473.505 6 ↓

Activity (Go SEA)

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