In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 25th, 2011 | 23 | No |
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) | 7.87 | 13.83 | -32.66 | 1 | 2 | 1 | 8 | 327.621 | 18 | ↓ |
Mid Mid (pH 6-8) | 7.87 | 13.97 | -31.95 | 1 | 2 | 1 | 8 | 327.621 | 18 | ↓ |
Mid Mid (pH 6-8) | 7.87 | 16.28 | -102.97 | 2 | 2 | 2 | 9 | 328.629 | 18 | ↓ |