In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2009 | 19 | 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) | 0.62 | 0.44 | -13.16 | 1 | 6 | 0 | 73 | 285.369 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.07 | -1.63 | -45.49 | 0 | 6 | -1 | 77 | 284.361 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.62 | 2.63 | -52.59 | 2 | 6 | 1 | 75 | 286.377 | 4 | ↓ |