In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 30th, 2010 | 14 | 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) | 2.29 | 4.6 | -36.9 | 2 | 2 | 1 | 20 | 197.346 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.29 | 5.06 | -29.14 | 2 | 2 | 1 | 16 | 197.346 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.29 | 6.38 | -113.58 | 3 | 2 | 2 | 21 | 198.354 | 2 | ↓ |