In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 3rd, 2008 | 35 | 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) | 2.98 | 10.34 | -12.97 | 1 | 7 | 0 | 73 | 472.589 | 7 | ↓ |
Ref Reference (pH 7) | 2.98 | 10.38 | -14.56 | 1 | 7 | 0 | 73 | 472.589 | 7 | ↓ |
Ref Reference (pH 7) | 2.98 | 10.34 | -12.98 | 1 | 7 | 0 | 73 | 472.589 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.98 | 12.56 | -48 | 2 | 7 | 1 | 74 | 473.597 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.98 | 12.6 | -49.41 | 2 | 7 | 1 | 74 | 473.597 | 7 | ↓ |