In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 21 | Yes |
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) | 3.17 | 6.22 | -54.36 | 2 | 5 | -1 | 81 | 346.16 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.17 | 4.21 | -10.77 | 3 | 5 | 0 | 78 | 347.168 | 3 | ↓ |