In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 15 | 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) | 0.21 | -0.87 | -40.74 | 3 | 4 | 1 | 49 | 215.317 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.21 | -2.31 | -4 | 2 | 4 | 0 | 45 | 214.309 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.21 | 1.45 | -102.28 | 4 | 4 | 2 | 51 | 216.325 | 4 | ↓ |