In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 18 | Yes |
Popular Name: 2-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]isoindolin-5-amine 2-[[(2S)-1-ethylpyrrolidin-2-yl]…
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) | 1.18 | 5.38 | -33.2 | 3 | 3 | 1 | 34 | 246.378 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.18 | 6.8 | -32.96 | 3 | 3 | 1 | 34 | 246.378 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.18 | 7.62 | -108.18 | 4 | 3 | 2 | 35 | 247.386 | 3 | ↓ |