In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 20 | 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) | 2.28 | 4.88 | -30.78 | 2 | 4 | 1 | 38 | 285.452 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.28 | 4.05 | -1.99 | 1 | 4 | 0 | 34 | 284.444 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.28 | 5.56 | -29.27 | 2 | 4 | 1 | 35 | 285.452 | 9 | ↓ |