In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 20 | Yes |
Popular Name: (2S)-2-amino-N-[(2-cyanophenyl)methyl]-2-cyclopropyl-N-ethyl-propanamide (2S)-2-amino-N-[(2-cyanophenyl)m…
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) | 1.86 | 7.28 | -50.66 | 3 | 4 | 1 | 72 | 272.372 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.86 | 7.44 | -13.71 | 2 | 4 | 0 | 70 | 271.364 | 5 | ↓ |