In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 17th, 2010 | 33 | 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) | 6.49 | 10.41 | -10.07 | 2 | 4 | 0 | 58 | 492.485 | 6 | ↓ |
Mid Mid (pH 6-8) | 6.68 | 8.88 | -42.76 | 1 | 4 | -1 | 65 | 491.477 | 6 | ↓ |