In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 13th, 2009 | 31 | 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) | 2.37 | 4.11 | -48.95 | 1 | 9 | -1 | 131 | 437.819 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.19 | 6.61 | -20.22 | 2 | 9 | 0 | 124 | 438.827 | 3 | ↓ |