In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 28th, 2008 | 28 | Yes |
None
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) | 1.68 | 7.34 | -17.69 | 2 | 8 | 0 | 105 | 381.346 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.68 | 6.84 | -48.59 | 1 | 8 | -1 | 103 | 380.338 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.50 | 9.59 | -42.81 | 1 | 8 | -1 | 100 | 380.338 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.68 | 7.32 | -16.46 | 2 | 8 | 0 | 105 | 381.346 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.50 | 10.06 | -15.54 | 2 | 8 | 0 | 101 | 381.346 | 2 | ↓ |