In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 14th, 2011 | 19 | 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) | 4.04 | 7.37 | -39.95 | 2 | 4 | 0 | 66 | 264.369 | 9 | ↓ |
Hi High (pH 8-9.5) | 4.04 | 6.91 | -50.36 | 1 | 4 | -1 | 65 | 263.361 | 9 | ↓ |
Mid Mid (pH 6-8) | 4.04 | 5.91 | -9.34 | 2 | 4 | 0 | 62 | 264.369 | 9 | ↓ |