In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2008 | 19 | 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) | 2.62 | 6.08 | -12.16 | 2 | 3 | 0 | 48 | 250.301 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.62 | 6.58 | -30.07 | 3 | 3 | 1 | 49 | 251.309 | 3 | ↓ |