In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 20th, 2010 | 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) | 2.84 | 6.5 | -30.25 | 2 | 3 | 1 | 29 | 277.432 | 6 | ↓ |
Hi High (pH 8-9.5) | 2.84 | 5.4 | -2.76 | 1 | 3 | 0 | 24 | 276.424 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.84 | 7.7 | -30.48 | 2 | 3 | 1 | 26 | 277.432 | 6 | ↓ |