In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2009 | 31 | No |
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) | -1.08 | 1.42 | -19.27 | 2 | 10 | 0 | 128 | 431.424 | 4 | ↓ |
Mid Mid (pH 6-8) | -1.08 | 2.41 | -51.14 | 1 | 10 | -1 | 131 | 430.416 | 4 | ↓ |
Lo Low (pH 4.5-6) | -1.08 | 3.18 | -41.48 | 3 | 10 | 1 | 130 | 432.432 | 4 | ↓ |