In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2009 | 35 | 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) | 4.40 | 13.85 | -12.99 | 0 | 7 | 0 | 63 | 491.661 | 10 | ↓ |
Lo Low (pH 4.5-6) | 4.40 | 15.62 | -50 | 1 | 7 | 1 | 65 | 492.669 | 10 | ↓ |