In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 32 | No |
None
None
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) | 3.29 | 9.16 | -13.58 | 0 | 8 | 0 | 101 | 429.432 | 4 | ↓ |
Lo Low (pH 4.5-6) | 3.29 | 9.62 | -45.3 | 1 | 8 | 1 | 103 | 430.44 | 4 | ↓ |