In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 7th, 2011 | 28 | 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) | 8.81 | 16.28 | -46.45 | 1 | 3 | -1 | 60 | 389.6 | 19 | ↓ |
Lo Low (pH 4.5-6) | 8.81 | 14.3 | -8.22 | 2 | 3 | 0 | 58 | 390.608 | 19 | ↓ |