In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 20 | Yes |
Popular Name: (2S)-2-[4-[(1R)-3-amino-1-ethyl-propyl]-1,4-diazepan-1-yl]-N-ethyl-propanamide (2S)-2-[4-[(1R)-3-amino-1-ethyl-…
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) | 0.26 | 0.61 | -39.68 | 4 | 5 | 1 | 63 | 285.456 | 7 | ↓ |
Lo Low (pH 4.5-6) | 0.26 | 2.11 | -98.36 | 5 | 5 | 2 | 64 | 286.464 | 7 | ↓ |