In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2008 | 21 | Yes |
Popular Name: (2S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (2S)-N-[[(2S)-1-ethylpyrrolidin-…
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) | 1.55 | 5.81 | -48.49 | 3 | 5 | 1 | 55 | 290.387 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.55 | 3.47 | -16.58 | 2 | 5 | 0 | 54 | 289.379 | 4 | ↓ |