In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2008 | 11 | 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) | 0.20 | -1.18 | -70.93 | 3 | 4 | 0 | 76 | 171.225 | 3 | ↓ |
Lo Low (pH 4.5-6) | -0.26 | -0.06 | -58.05 | 4 | 4 | 1 | 73 | 172.233 | 3 | ↓ |