| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 22nd, 2009 | 32 | Yes |
Popular Name: 4-tert-butyl-N-[6-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]benzamide 4-tert-butyl-N-[6-[4-(3-thienylm…
| 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) | 5.06 | 14.15 | -42.69 | 2 | 5 | 1 | 50 | 449.644 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.06 | 12.28 | -9.97 | 1 | 5 | 0 | 48 | 448.636 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 5.06 | 14.46 | -98.6 | 3 | 5 | 2 | 51 | 450.652 | 6 | ↓ |
