In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2009 | 36 | 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) | 4.57 | 16.58 | -11.09 | 0 | 7 | 0 | 62 | 485.632 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.57 | 16.91 | -30.59 | 1 | 7 | 1 | 63 | 486.64 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.57 | 16.89 | -32.25 | 1 | 7 | 1 | 63 | 486.64 | 6 | ↓ |