In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 2nd, 2010 | 36 | 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) | 1.43 | 8.37 | -64.04 | 3 | 8 | 1 | 91 | 492.644 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.43 | 8.93 | -111.15 | 4 | 8 | 2 | 93 | 493.652 | 5 | ↓ |