In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 28th, 2010 | 15 | Yes |
None
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) | 1.19 | 1.78 | -38.04 | 3 | 3 | 1 | 40 | 215.361 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.19 | 2.57 | -32.08 | 3 | 3 | 1 | 37 | 215.361 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.19 | 3.9 | -111.49 | 4 | 3 | 2 | 41 | 216.369 | 7 | ↓ |