In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 6th, 2008 | 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) | 5.10 | 12.4 | -60.14 | 0 | 6 | -1 | 79 | 464.582 | 11 | ↓ |
Mid Mid (pH 6-8) | 5.55 | 11.32 | -25.01 | 1 | 6 | 0 | 76 | 465.59 | 10 | ↓ |
Mid Mid (pH 6-8) | 4.52 | 12.57 | -18.57 | 0 | 6 | 0 | 73 | 465.59 | 11 | ↓ |