In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2006 | 17 | 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) | 1.95 | 6.54 | -9.38 | 0 | 3 | 0 | 43 | 223.231 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.95 | 6.83 | -34.7 | 1 | 3 | 1 | 44 | 224.239 | 1 | ↓ |