In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 19 | 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) | 2.21 | 6.77 | -49.18 | 3 | 2 | 1 | 37 | 272.393 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.21 | 5.59 | -5.78 | 2 | 2 | 0 | 32 | 271.385 | 3 | ↓ |