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) | -0.09 | -0.72 | -36.26 | 4 | 4 | 1 | 64 | 172.252 | 3 | ↓ |
Hi High (pH 8-9.5) | -3.00 | -0.73 | -10.51 | 4 | 4 | 0 | 64 | 171.244 | 3 | ↓ |
Mid Mid (pH 6-8) | -0.09 | 1.62 | -106.16 | 5 | 4 | 2 | 65 | 173.26 | 3 | ↓ |