In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 12th, 2009 | 20 | 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) | 2.19 | 3.18 | -11.88 | 1 | 5 | 0 | 59 | 279.336 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.19 | 4.18 | -54.19 | 0 | 5 | -1 | 62 | 278.328 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.19 | 5.48 | -47.64 | 2 | 5 | 1 | 60 | 280.344 | 6 | ↓ |