In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 22nd, 2008 | 19 | No |
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) | 2.17 | 5.45 | -10.3 | 2 | 4 | 0 | 57 | 255.252 | 2 | ↓ |
Ref Reference (pH 7) | 2.17 | 5.57 | -7.72 | 2 | 4 | 0 | 57 | 255.252 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.35 | 4.35 | -46.63 | 1 | 4 | -1 | 64 | 254.244 | 2 | ↓ |
Hi High (pH 8-9.5) | 3.35 | 3.43 | -39.36 | 1 | 4 | -1 | 64 | 254.244 | 2 | ↓ |