In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2009 | 16 | Yes |
Popular Name: (2R)-2-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methyl-butanamide (2R)-2-amino-N-[[(2S)-1-ethylpyr…
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) | 0.20 | 3.25 | -90.66 | 5 | 4 | 2 | 61 | 229.368 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.39 | 0.18 | -46.79 | 4 | 4 | 1 | 67 | 228.36 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.20 | 2.42 | -36.68 | 4 | 4 | 1 | 60 | 228.36 | 5 | ↓ |