In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 21st, 2011 | 22 | 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) | 1.97 | 6.02 | -14.58 | 1 | 5 | 0 | 62 | 315.398 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.97 | 8.36 | -54.71 | 2 | 5 | 1 | 63 | 316.406 | 4 | ↓ |