In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 21st, 2010 | 15 | No |
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) | 1.91 | 3.82 | -11.13 | 3 | 4 | 0 | 60 | 203.245 | 3 | ↓ |
Lo Low (pH 4.5-6) | 1.91 | 4.2 | -24.55 | 4 | 4 | 1 | 61 | 204.253 | 3 | ↓ |