In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2008 | 15 | 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) | 1.55 | 2.39 | -50.97 | 3 | 4 | 1 | 67 | 204.253 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.55 | 2.09 | -6.33 | 2 | 4 | 0 | 65 | 203.245 | 3 | ↓ |