In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 30th, 2009 | 16 | 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) | 1.17 | 5.12 | -84.8 | 3 | 3 | 2 | 24 | 227.396 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.17 | 2.86 | -37.53 | 2 | 3 | 1 | 23 | 226.388 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.17 | 5.23 | -77.91 | 3 | 3 | 2 | 24 | 227.396 | 4 | ↓ |