In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 19th, 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) | 3.17 | 6.46 | -13.2 | 2 | 4 | 0 | 62 | 267.284 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.17 | 7.39 | -58.97 | 1 | 4 | -1 | 65 | 266.276 | 3 | ↓ |