In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2010 | 19 | Yes |
Popular Name: (2S)-1-[(1R)-2-amino-1-phenyl-ethyl]-N,N-dimethyl-pyrrolidine-2-carboxamide (2S)-1-[(1R)-2-amino-1-phenyl-et…
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) | 0.03 | 6.12 | -113.49 | 4 | 4 | 2 | 52 | 263.385 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.03 | 6.18 | -31.64 | 3 | 4 | 1 | 51 | 262.377 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.03 | 3.43 | -40.97 | 3 | 4 | 1 | 51 | 262.377 | 4 | ↓ |