In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 5th, 2011 | 30 | Yes |
Popular Name: 6-[(3S,5R)-3,5-dimethyl-4-phenethyl-piperazin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one 6-[(3S,5R)-3,5-dimethyl-4-phenet…
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) | 2.89 | 7.22 | -14.49 | 0 | 7 | 0 | 76 | 429.542 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.89 | 9.28 | -53.97 | 1 | 7 | 1 | 77 | 430.55 | 5 | ↓ |