In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 20 | 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) | 2.01 | 7.05 | -47.37 | 0 | 5 | -1 | 64 | 283.392 | 8 | ↓ |
Mid Mid (pH 6-8) | 2.01 | 9.26 | -73.98 | 1 | 5 | 0 | 65 | 284.4 | 8 | ↓ |
Lo Low (pH 4.5-6) | 2.00 | 7.29 | -47.02 | 2 | 5 | 1 | 62 | 285.408 | 8 | ↓ |