In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 23rd, 2004 | 17 | 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) | 3.46 | 6.44 | -9.89 | 1 | 2 | 0 | 37 | 246.693 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.46 | 7.21 | -43 | 0 | 2 | -1 | 40 | 245.685 | 3 | ↓ |