In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 8th, 2008 | 14 | 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) | 1.07 | 3.07 | -32.32 | 2 | 3 | 1 | 28 | 199.318 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.07 | 0.6 | -3.52 | 1 | 3 | 0 | 27 | 198.31 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.07 | 2.68 | -30.48 | 2 | 3 | 1 | 28 | 199.318 | 2 | ↓ |