In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 13th, 2010 | 19 | 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) | 1.56 | 5.01 | -102.75 | 4 | 4 | 2 | 54 | 263.385 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.56 | 4.15 | -5.13 | 2 | 4 | 0 | 51 | 261.369 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.56 | 4.66 | -26.19 | 3 | 4 | 1 | 53 | 262.377 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.56 | 4.57 | -49.1 | 3 | 4 | 1 | 53 | 262.377 | 2 | ↓ |