In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 7th, 2009 | 20 | 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) | 2.39 | 7.44 | -16.66 | 1 | 7 | 0 | 100 | 267.248 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.39 | 7.25 | -60.36 | 0 | 7 | -1 | 99 | 266.24 | 3 | ↓ |