In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 3rd, 2010 | 37 | 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) | 1.95 | 7.75 | -52.06 | 3 | 7 | 1 | 78 | 509.646 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.95 | 10.01 | -109.09 | 4 | 7 | 2 | 80 | 510.654 | 6 | ↓ |