In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 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) | 1.53 | 6.73 | -46.8 | 2 | 3 | 1 | 33 | 246.309 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.53 | 5.42 | -6.43 | 1 | 3 | 0 | 28 | 245.301 | 1 | ↓ |
Lo Low (pH 4.5-6) | 1.53 | 7.03 | -97.85 | 3 | 3 | 2 | 34 | 247.317 | 1 | ↓ |