In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 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) | 2.79 | 7.47 | -11.41 | 1 | 7 | 0 | 73 | 473.36 | 3 | ↓ |
Ref Reference (pH 7) | 2.79 | 7.23 | -14.08 | 1 | 7 | 0 | 73 | 473.36 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.79 | 9.65 | -49.98 | 2 | 7 | 1 | 74 | 474.368 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.79 | 9.66 | -49.64 | 2 | 7 | 1 | 74 | 474.368 | 3 | ↓ |