In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 26th, 2010 | 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) | 0.22 | 1.6 | -55.96 | 4 | 6 | 1 | 103 | 196.186 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.22 | 1.21 | -9.86 | 3 | 6 | 0 | 101 | 195.178 | 3 | ↓ |