In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 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) | 1.94 | 4.67 | -29.28 | 2 | 2 | 1 | 16 | 185.335 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.94 | 4.08 | -37.14 | 2 | 2 | 1 | 20 | 185.335 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.94 | 6.02 | -97.57 | 3 | 2 | 2 | 21 | 186.343 | 4 | ↓ |