In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2010 | 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) | 4.65 | 9.18 | -9.77 | 2 | 3 | 0 | 44 | 318.207 | 2 | ↓ |
Lo Low (pH 4.5-6) | 4.65 | 9 | -25.93 | 3 | 3 | 1 | 45 | 319.215 | 2 | ↓ |