In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 22nd, 2006 | 28 | 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) | 4.05 | 7.21 | -13.93 | 2 | 6 | 0 | 78 | 377.444 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.05 | 7.98 | -53.24 | 1 | 6 | -1 | 81 | 376.436 | 6 | ↓ |