In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 23rd, 2010 | 24 | No |
Popular Name: (3aS,7aR)-2-[[(2S)-2-benzylpyrrolidin-1-yl]methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione (3aS,7aR)-2-[[(2S)-2-benzylpyrro…
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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) | 2.72 | 8.79 | -7.17 | 0 | 4 | 0 | 41 | 324.424 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.72 | 11.16 | -31.52 | 1 | 4 | 1 | 42 | 325.432 | 4 | ↓ |