In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2011 | 18 | No |
Popular Name: 3-[[2-dimethylaminoethyl(methyl)amino]methyl]-N'-hydroxy-benzamidine 3-[[2-dimethylaminoethyl(methyl)…
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) | 0.06 | 2.88 | -38.24 | 4 | 5 | 1 | 66 | 251.354 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.06 | 0.4 | -6.95 | 3 | 5 | 0 | 65 | 250.346 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.06 | 2.72 | -40.31 | 4 | 5 | 1 | 66 | 251.354 | 6 | ↓ |
Lo Low (pH 4.5-6) | 0.06 | 5.21 | -113.21 | 5 | 5 | 2 | 67 | 252.362 | 6 | ↓ |