In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 26th, 2010 | 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) | 1.19 | 6.63 | -61.56 | 1 | 4 | 0 | 48 | 240.347 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.19 | 8.88 | -96.69 | 2 | 4 | 1 | 49 | 241.355 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.19 | 6.69 | -43.43 | 1 | 4 | 0 | 48 | 240.347 | 4 | ↓ |