In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 27th, 2010 | 16 | Yes |
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) | 2.02 | 5.9 | -42.83 | 2 | 3 | 1 | 29 | 221.324 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.02 | 4.6 | -4.41 | 1 | 3 | 0 | 24 | 220.316 | 3 | ↓ |