In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2010 | 15 | 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) | 1.25 | 4.66 | -83.48 | 4 | 3 | 2 | 33 | 215.385 | 7 | ↓ |
Hi High (pH 8-9.5) | 1.25 | 2.73 | -37.89 | 3 | 3 | 1 | 32 | 214.377 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.25 | 4.56 | -103.5 | 4 | 3 | 2 | 33 | 215.385 | 7 | ↓ |
Lo Low (pH 4.5-6) | 1.25 | 5.99 | -194.25 | 5 | 3 | 3 | 38 | 216.393 | 7 | ↓ |