In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2008 | 21 | Yes |
Popular Name: 2-ethyl-1-[3-(1,4-oxazepan-4-yl)propyl]benzimidazole 2-ethyl-1-[3-(1,4-oxazepan-4-yl)…
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) | 2.57 | 9.58 | -49.88 | 1 | 4 | 1 | 31 | 288.415 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.57 | 7.56 | -10.06 | 0 | 4 | 0 | 30 | 287.407 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.57 | 9.99 | -91.8 | 2 | 4 | 2 | 33 | 289.423 | 5 | ↓ |