In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 2008 | 30 | 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) | 4.62 | 8.67 | -28.63 | 2 | 7 | 0 | 101 | 457.606 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.62 | 9.06 | -22.91 | 2 | 7 | 0 | 101 | 457.606 | 7 | ↓ |
Mid Mid (pH 6-8) | 5.07 | 7.44 | -62.27 | 1 | 7 | -1 | 104 | 456.598 | 7 | ↓ |