In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 6th, 2010 | 23 | 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) | 3.05 | 12.25 | -100.37 | 2 | 4 | 2 | 35 | 306.413 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.05 | 9.6 | -7.17 | 0 | 4 | 0 | 32 | 304.397 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.05 | 10.06 | -29.79 | 1 | 4 | 1 | 34 | 305.405 | 3 | ↓ |
Mid Mid (pH 6-8) | 3.05 | 10.05 | -28.67 | 1 | 4 | 1 | 34 | 305.405 | 3 | ↓ |
Lo Low (pH 4.5-6) | 3.05 | 12.27 | -86.69 | 2 | 4 | 2 | 35 | 306.413 | 3 | ↓ |