In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 19th, 2009 | 21 | 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) | 2.20 | 2.89 | -37.6 | 3 | 5 | 1 | 58 | 296.435 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.20 | 1.64 | -8.61 | 2 | 5 | 0 | 54 | 295.427 | 4 | ↓ |
Mid Mid (pH 6-8) | 2.20 | 5.28 | -97.48 | 4 | 5 | 2 | 59 | 297.443 | 4 | ↓ |