In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2010 | 16 | Yes |
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) | -1.23 | 4.28 | -33.1 | 3 | 4 | 0 | 71 | 222.288 | 6 | ↓ |
Mid Mid (pH 6-8) | -1.23 | 5.73 | -43.04 | 3 | 4 | 0 | 71 | 222.288 | 6 | ↓ |
Lo Low (pH 4.5-6) | -1.23 | 6.03 | -81.6 | 4 | 4 | 1 | 72 | 223.296 | 6 | ↓ |