In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2010 | 33 | 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) | 4.17 | 10.86 | -48.03 | 1 | 9 | -1 | 114 | 448.503 | 4 | ↓ |
Mid Mid (pH 6-8) | 3.71 | 12.26 | -16.27 | 2 | 9 | 0 | 111 | 449.511 | 4 | ↓ |