In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 22 | 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) | 1.77 | 7.2 | -46.95 | 3 | 5 | 1 | 62 | 297.382 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.77 | 7.53 | -97.76 | 4 | 5 | 2 | 63 | 298.39 | 3 | ↓ |