In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 7th, 2009 | 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) | 2.04 | 3.91 | -109.18 | 4 | 2 | 2 | 32 | 188.359 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.04 | 2.25 | -38.68 | 3 | 2 | 1 | 31 | 187.351 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.04 | 3.46 | -24.4 | 3 | 2 | 1 | 30 | 187.351 | 5 | ↓ |