In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 24th, 2009 | 17 | 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) | 2.21 | 6.17 | -33.02 | 2 | 3 | 1 | 26 | 237.367 | 9 | ↓ |
Hi High (pH 8-9.5) | 2.21 | 4.02 | -4.03 | 1 | 3 | 0 | 24 | 236.359 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.21 | 5.43 | -39.54 | 2 | 3 | 1 | 29 | 237.367 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.21 | 7.55 | -111.05 | 3 | 3 | 2 | 30 | 238.375 | 9 | ↓ |