In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2009 | 15 | 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) | 1.87 | 7.94 | -39.63 | 1 | 2 | 1 | 22 | 204.293 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.87 | 6.04 | -4.51 | 0 | 2 | 0 | 20 | 203.285 | 2 | ↓ |