In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2008 | 15 | 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) | 1.80 | 4.42 | -15.41 | 2 | 3 | 0 | 42 | 221.329 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.80 | 4.69 | -47.92 | 3 | 3 | 1 | 43 | 222.337 | 2 | ↓ |