In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 7th, 2009 | 29 | Yes |
Popular Name: 4-[3-[4-(m-tolylmethyl)piperazin-1-yl]-3-oxo-propyl]-1,4-benzoxazin-3-one 4-[3-[4-(m-tolylmethyl)piperazin…
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 | 8.48 | -12.72 | 0 | 6 | 0 | 53 | 393.487 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.57 | 10.68 | -50.42 | 1 | 6 | 1 | 54 | 394.495 | 5 | ↓ |