In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 2004 | 12 | 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) | 2.36 | 5.42 | -48.59 | 0 | 2 | -1 | 40 | 167.228 | 1 | ↓ |
Lo Low (pH 4.5-6) | 2.36 | 4.29 | -5.03 | 1 | 2 | 0 | 37 | 168.236 | 1 | ↓ |