In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2009 | 29 | 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) | -0.05 | -1.69 | -47.04 | 3 | 9 | 1 | 96 | 410.539 | 9 | ↓ |
Mid Mid (pH 6-8) | -0.05 | 0.66 | -96.92 | 4 | 9 | 2 | 97 | 411.547 | 9 | ↓ |
Mid Mid (pH 6-8) | -0.05 | -3.98 | -10.17 | 2 | 9 | 0 | 94 | 409.531 | 9 | ↓ |