In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2010 | 14 | 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) | 2.36 | 5.66 | -40.75 | 1 | 3 | -1 | 60 | 199.27 | 3 | ↓ |
Lo Low (pH 4.5-6) | 2.36 | 2.54 | -5.64 | 2 | 3 | 0 | 58 | 200.278 | 3 | ↓ |