In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 10th, 2010 | 30 | 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) | 0.51 | 10.65 | -49.23 | 2 | 7 | 0 | 111 | 406.438 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.51 | 9.42 | -58.3 | 1 | 7 | -1 | 107 | 405.43 | 4 | ↓ |