In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 19 | Yes |
Popular Name: (2S)-2-amino-N-[(4-cyanophenyl)methyl]-2-cyclopropyl-N-methyl-propanamide (2S)-2-amino-N-[(4-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) | 1.53 | 6.18 | -52.99 | 3 | 4 | 1 | 72 | 258.345 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.53 | 5.95 | -10.18 | 2 | 4 | 0 | 70 | 257.337 | 4 | ↓ |