In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 28th, 2010 | 21 | 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) | 4.18 | 8.7 | -12.17 | 1 | 3 | 0 | 42 | 388.208 | 2 | ↓ |
Lo Low (pH 4.5-6) | 4.18 | 9.08 | -35.35 | 2 | 3 | 1 | 43 | 389.216 | 2 | ↓ |