In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 27 | 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) | 3.62 | 7.42 | -9 | 0 | 5 | 0 | 46 | 364.445 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.62 | 10.4 | -43.03 | 1 | 5 | 1 | 47 | 365.453 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.62 | 11.14 | -110.78 | 2 | 5 | 0 | 48 | 366.461 | 3 | ↓ |