In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 22nd, 2009 | 15 | No |
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) | 1.69 | 4.82 | -10.99 | 3 | 3 | 0 | 51 | 221.329 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.69 | 5.16 | -42.26 | 4 | 3 | 1 | 52 | 222.337 | 4 | ↓ |