In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 15th, 2008 | 26 | 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) | 1.38 | 4.43 | -15.81 | 1 | 6 | 0 | 64 | 394.518 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.38 | 5.36 | -43.9 | 0 | 6 | -1 | 67 | 393.51 | 6 | ↓ |