In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 26 | Yes |
Popular Name: 4-tert-butyl-N-[6-(1,4-diazepan-1-yl)-3-pyridyl]benzamide 4-tert-butyl-N-[6-(1,4-diazepan-…
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) | 3.47 | 9.53 | -46.52 | 3 | 5 | 1 | 62 | 353.49 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.47 | 9.86 | -97.72 | 4 | 5 | 2 | 63 | 354.498 | 4 | ↓ |