In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 21st, 2009 | 28 | 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) | 2.81 | 11.6 | -50.12 | 2 | 8 | 1 | 69 | 388.54 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.81 | 11.87 | -91.97 | 3 | 8 | 2 | 70 | 389.548 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.81 | 9.24 | -10.29 | 1 | 8 | 0 | 68 | 387.532 | 3 | ↓ |