In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2004 | 14 | 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) | 1.79 | 2.64 | -9.39 | 3 | 4 | 0 | 73 | 215.636 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.79 | 3.64 | -52.28 | 2 | 4 | -1 | 75 | 214.628 | 4 | ↓ |