In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2011 | 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) | 0.38 | -2.91 | -7.04 | 5 | 4 | 0 | 79 | 196.25 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.38 | -2.28 | -36.99 | 6 | 4 | 1 | 83 | 197.258 | 4 | ↓ |
Lo Low (pH 4.5-6) | 0.38 | -3.06 | -43.75 | 6 | 4 | 1 | 80 | 197.258 | 4 | ↓ |