In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 26th, 2010 | 15 | 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) | 1.60 | 5.93 | -31.87 | 3 | 2 | 1 | 30 | 205.325 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.60 | 4.09 | -43.73 | 3 | 2 | 1 | 31 | 205.325 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.60 | 6.22 | -116.68 | 4 | 2 | 2 | 32 | 206.333 | 3 | ↓ |