In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 13th, 2004 | 9 | 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) | 0.51 | 0.63 | -4.97 | 4 | 4 | 0 | 67 | 146.581 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.51 | 0.49 | -56.98 | 5 | 4 | 1 | 68 | 147.589 | 1 | ↓ |
Mid Mid (pH 6-8) | 0.51 | 0.45 | -39.59 | 5 | 4 | 1 | 68 | 147.589 | 1 | ↓ |