In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2010 | 18 | 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) | 1.47 | 3.5 | -32.46 | 2 | 4 | 1 | 38 | 257.398 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.47 | 2.73 | -2.36 | 1 | 4 | 0 | 34 | 256.39 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.47 | 4.63 | -32.64 | 2 | 4 | 1 | 35 | 257.398 | 6 | ↓ |