In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 7th, 2007 | 35 | 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) | 2.49 | 7.33 | -57.37 | 0 | 10 | -1 | 128 | 480.497 | 9 | ↓ |
Mid Mid (pH 6-8) | 1.91 | 0.25 | -59.17 | 1 | 10 | 1 | 123 | 482.513 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.49 | 9.67 | -74.5 | 1 | 10 | 0 | 129 | 481.505 | 9 | ↓ |