In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 18th, 2011 | 12 | Yes |
None
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) | 1.40 | 4.17 | -30.49 | 1 | 2 | 1 | 8 | 169.292 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.40 | 2.01 | -1.06 | 0 | 2 | 0 | 6 | 168.284 | 1 | ↓ |
Hi High (pH 8-9.5) | 1.40 | 4.7 | -32.04 | 1 | 2 | 1 | 8 | 169.292 | 1 | ↓ |
Mid Mid (pH 6-8) | 1.40 | 6.86 | -99.19 | 2 | 2 | 2 | 9 | 170.3 | 1 | ↓ |