In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 6th, 2006 | 15 | 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) | 4.72 | 6.48 | -4.9 | 1 | 1 | 0 | 20 | 239.101 | 1 | ↓ |
Hi High (pH 8-9.5) | 4.72 | 7.18 | -39.27 | 0 | 1 | -1 | 23 | 238.093 | 1 | ↓ |