In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2009 | 21 | Yes |
Popular Name: (2S)-2-amino-N-[(4-cyanophenyl)methyl]-N-propyl-hexanamide (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) | 2.50 | 7.95 | -48.35 | 3 | 4 | 1 | 72 | 288.415 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.50 | 7.65 | -8.64 | 2 | 4 | 0 | 70 | 287.407 | 8 | ↓ |