In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 23rd, 2010 | 18 | 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) | 2.82 | 7.38 | -44.07 | 2 | 4 | 1 | 46 | 264.374 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.64 | 4.13 | -48.57 | 0 | 4 | -1 | 52 | 262.358 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.64 | 6.45 | -39.28 | 1 | 4 | 0 | 53 | 263.366 | 5 | ↓ |