In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2006 | 27 | 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) | 1.92 | 12.88 | -15.24 | 3 | 7 | 0 | 112 | 401.257 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.92 | 12.64 | -48.81 | 4 | 7 | 1 | 113 | 402.265 | 2 | ↓ |