In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 26th, 2009 | 17 | No |
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) | 0.68 | 2.52 | -46.3 | 2 | 4 | 1 | 51 | 261.411 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.68 | 3.56 | -127.04 | 3 | 4 | 2 | 55 | 262.419 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.68 | 1.32 | -56.45 | 2 | 4 | 1 | 54 | 261.411 | 3 | ↓ |