In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 8th, 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) | 2.35 | 10.7 | -37.18 | 1 | 7 | 1 | 67 | 418.473 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.35 | 10.57 | -13.91 | 0 | 7 | 0 | 66 | 417.465 | 5 | ↓ |