In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2007 | 34 | 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) | 6.00 | 11.9 | -50.06 | 0 | 6 | -1 | 83 | 510.378 | 5 | ↓ |
Mid Mid (pH 6-8) | 5.41 | 11.83 | -16.07 | 0 | 6 | 0 | 77 | 511.386 | 5 | ↓ |
Mid Mid (pH 6-8) | 6.44 | 10.86 | -25.04 | 1 | 6 | 0 | 80 | 511.386 | 4 | ↓ |