In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 31st, 2009 | 19 | 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) | 3.03 | 9.21 | -50.54 | 0 | 4 | -1 | 60 | 327.198 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.03 | 7.24 | -12.3 | 1 | 4 | 0 | 58 | 328.206 | 7 | ↓ |