In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 3rd, 2006 | 18 | 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) | 2.95 | 9.75 | -46.58 | 1 | 3 | 0 | 45 | 267.756 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.95 | 8.16 | -47.1 | 0 | 3 | -1 | 43 | 266.748 | 3 | ↓ |