In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2008 | 18 | Yes |
Popular Name: (2S)-2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-N-isobutyl-propanamide (2S)-2-[[(2R)-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) | 1.45 | 5.42 | -31.42 | 3 | 4 | 1 | 46 | 256.414 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.45 | 4.27 | -37.52 | 3 | 4 | 1 | 49 | 256.414 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.45 | 6.4 | -109.62 | 4 | 4 | 2 | 50 | 257.422 | 7 | ↓ |