In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 12th, 2009 | 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) | -0.37 | 2.32 | -67.81 | 2 | 4 | 0 | 60 | 172.228 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.37 | 4.31 | -111 | 3 | 4 | 1 | 61 | 173.236 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.37 | 2.98 | -43.84 | 2 | 4 | 0 | 57 | 172.228 | 3 | ↓ |