In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 1st, 2008 | 32 | 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) | 2.28 | 6.78 | -14.81 | 1 | 7 | 0 | 73 | 456.905 | 3 | ↓ |
Ref Reference (pH 7) | 2.28 | 6.74 | -15.12 | 1 | 7 | 0 | 73 | 456.905 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.28 | 9.2 | -51.38 | 2 | 7 | 1 | 74 | 457.913 | 3 | ↓ |