In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 17th, 2007 | 34 | 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) | 1.91 | 0.99 | -18.06 | 0 | 8 | 0 | 89 | 460.465 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.91 | 1.19 | -59.44 | 1 | 8 | 1 | 90 | 461.473 | 4 | ↓ |