In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 3rd, 2010 | 21 | Yes |
Popular Name: (3R)-1-(4-acetyl-1,4-diazepan-1-yl)-3-amino-3-phenyl-propan-1-one (3R)-1-(4-acetyl-1,4-diazepan-1-…
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) | -1.43 | 6.02 | -54.2 | 3 | 5 | 1 | 68 | 290.387 | 3 | ↓ |
Hi High (pH 8-9.5) | -1.43 | 5.66 | -16.53 | 2 | 5 | 0 | 67 | 289.379 | 3 | ↓ |