In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2008 | 17 | 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 | 5.88 | -97.59 | 2 | 5 | 1 | 62 | 236.295 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.17 | 3.47 | -46.22 | 0 | 5 | -1 | 59 | 234.279 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.17 | 5.7 | -66.98 | 1 | 5 | 0 | 61 | 235.287 | 2 | ↓ |