In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 2008 | 35 | Yes |
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) | 6.17 | 11.95 | -27.49 | 2 | 7 | 0 | 101 | 525.725 | 7 | ↓ |
Mid Mid (pH 6-8) | 6.17 | 12.36 | -22.45 | 2 | 7 | 0 | 101 | 525.725 | 7 | ↓ |
Mid Mid (pH 6-8) | 6.63 | 10.63 | -63.24 | 1 | 7 | -1 | 104 | 524.717 | 7 | ↓ |