In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 17th, 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) | 2.03 | 5.84 | -30.68 | 1 | 2 | 1 | 8 | 185.335 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.03 | 5.77 | -30.58 | 1 | 2 | 1 | 8 | 185.335 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.03 | 7.98 | -102.34 | 2 | 2 | 2 | 9 | 186.343 | 5 | ↓ |