UCSF

ZINC35843247

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 34 No

Popular Name: (3aS,4S,8aR,8bS)-2-[2-chloro-5-(trifluoromethyl)phenyl]-5'-methyl-spiro[3a,6,7,8,8a,8b-hexahydropyrr (3aS,4S,8aR,8bS)-2-[2-chloro-5-(…

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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) 4.13 7.33 -10.38 1 6 0 70 489.881 2 ↓
Ref Reference (pH 7) 4.13 8.41 -11.82 1 6 0 70 489.881 2 ↓
Mid Mid (pH 6-8) 4.14 9.37 -16.02 1 6 0 70 489.881 2 ↓
Lo Low (pH 4.5-6) 4.13 9.82 -37.35 2 6 1 71 490.889 2 ↓
Lo Low (pH 4.5-6) 4.13 10.57 -45.65 2 6 1 71 490.889 2 ↓

Activity (Go SEA)

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