In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 4th, 2011 | 25 | 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) | 7.38 | 14.79 | -32.69 | 1 | 3 | 1 | 31 | 354.599 | 12 | ↓ |
Hi High (pH 8-9.5) | 7.38 | 13.27 | -4.21 | 0 | 3 | 0 | 30 | 353.591 | 12 | ↓ |