In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 4th, 2008 | 21 | 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) | 3.80 | 6.58 | -10.16 | 1 | 3 | 0 | 42 | 290.244 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.80 | 6.85 | -28.64 | 2 | 3 | 1 | 43 | 291.252 | 2 | ↓ |