In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 14th, 2010 | 13 | 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) | 1.41 | 5.93 | -96.46 | 3 | 2 | 2 | 21 | 184.327 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.41 | 3.96 | -38.12 | 2 | 2 | 1 | 20 | 183.319 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.41 | 4.59 | -29.04 | 2 | 2 | 1 | 16 | 183.319 | 4 | ↓ |