In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 17 | 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) | 0.32 | 2.14 | -38.75 | 4 | 5 | 1 | 67 | 237.327 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.32 | -0.06 | -7.13 | 3 | 5 | 0 | 66 | 236.319 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.32 | 2.46 | -89.55 | 5 | 5 | 2 | 68 | 238.335 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.32 | 0.23 | -28.32 | 4 | 5 | 1 | 67 | 237.327 | 4 | ↓ |