In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 2nd, 2008 | 12 | 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) | -0.40 | 0.36 | -51.72 | 4 | 4 | 1 | 70 | 186.26 | 2 | ↓ |
Hi High (pH 8-9.5) | 0.53 | -0.7 | -9.77 | 3 | 4 | 0 | 71 | 185.252 | 1 | ↓ |
Mid Mid (pH 6-8) | -0.22 | -0.71 | -43.02 | 3 | 4 | 0 | 76 | 185.252 | 2 | ↓ |