In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 15th, 2007 | 33 | 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) | 3.41 | 5.34 | -16.66 | 3 | 8 | 0 | 108 | 451.523 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.39 | 5.61 | -64.28 | 1 | 8 | -1 | 107 | 450.515 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.39 | 5.98 | -55.24 | 1 | 8 | -1 | 107 | 450.515 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.41 | 6.29 | -47.95 | 2 | 8 | -1 | 111 | 450.515 | 9 | ↓ |
Mid Mid (pH 6-8) | 3.41 | 6.1 | -56.95 | 2 | 8 | -1 | 111 | 450.515 | 9 | ↓ |