In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 1st, 2008 | 23 | 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) | 1.11 | 3.99 | -18.34 | 2 | 7 | 0 | 95 | 336.417 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.57 | 1.23 | -57.45 | 1 | 7 | -1 | 98 | 335.409 | 5 | ↓ |