In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 6th, 2008 | 36 | 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) | 3.87 | 9.77 | -52.18 | 0 | 8 | -1 | 97 | 500.543 | 13 | ↓ |
Mid Mid (pH 6-8) | 4.31 | 7.89 | -32.94 | 1 | 8 | 0 | 95 | 501.551 | 12 | ↓ |
Mid Mid (pH 6-8) | 3.28 | 8.88 | -30.29 | 0 | 8 | 0 | 91 | 501.551 | 13 | ↓ |