In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 16th, 2010 | 32 | 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) | 3.21 | 11.25 | -43.73 | 2 | 7 | 1 | 74 | 445.628 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.21 | 8.78 | -12.08 | 1 | 7 | 0 | 73 | 444.62 | 8 | ↓ |