In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 26th, 2005 | 40 | 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) | 4.94 | 13.11 | -64.32 | 0 | 7 | -1 | 88 | 532.572 | 8 | ↓ |
Mid Mid (pH 6-8) | 5.38 | 2.16 | -17.65 | 1 | 7 | 0 | 85 | 533.58 | 7 | ↓ |
Mid Mid (pH 6-8) | 4.35 | 2.38 | -24.5 | 0 | 7 | 0 | 82 | 533.58 | 8 | ↓ |