In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 23rd, 2010 | 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) | -1.50 | 1.28 | -58.77 | 4 | 4 | 1 | 69 | 163.204 | 1 | ↓ |
Hi High (pH 8-9.5) | -1.50 | 0.99 | -8.23 | 3 | 4 | 0 | 68 | 162.196 | 1 | ↓ |
Mid Mid (pH 6-8) | -1.50 | 0.63 | -40.15 | 3 | 4 | 0 | 68 | 162.196 | 1 | ↓ |