In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 6th, 2008 | 37 | 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) | 3.23 | 8.75 | -63.47 | 0 | 9 | -1 | 107 | 510.563 | 12 | ↓ |
Mid Mid (pH 6-8) | 3.67 | 7.68 | -31.46 | 1 | 9 | 0 | 104 | 511.571 | 11 | ↓ |
Mid Mid (pH 6-8) | 2.64 | 8.67 | -28.24 | 0 | 9 | 0 | 101 | 511.571 | 12 | ↓ |