In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2009 | 13 | Yes |
Popular Name: (2R)-1-amino-3-(4-methyl-1,4-diazepan-1-yl)propan-2-ol (2R)-1-amino-3-(4-methyl-1,4-dia…
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) | -1.34 | -1.41 | -85.34 | 5 | 4 | 2 | 56 | 189.303 | 3 | ↓ |
Hi High (pH 8-9.5) | -1.34 | -1.87 | -31.43 | 4 | 4 | 1 | 54 | 188.295 | 3 | ↓ |