In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 17th, 2011 | 34 | Yes |
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) | 2.68 | 6.45 | -15.27 | 1 | 10 | 0 | 113 | 488.614 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.68 | 8.82 | -55.71 | 2 | 10 | 1 | 114 | 489.622 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.14 | 4.67 | -56.45 | 0 | 10 | -1 | 116 | 487.606 | 8 | ↓ |