In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 23rd, 2008 | 31 | 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) | 3.08 | 6.05 | -19.07 | 3 | 10 | 0 | 149 | 423.429 | 6 | ↓ |
Ref Reference (pH 7) | 3.08 | 6.18 | -17.08 | 3 | 10 | 0 | 149 | 423.429 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.54 | 4.17 | -43.25 | 2 | 10 | -1 | 152 | 422.421 | 6 | ↓ |
Mid Mid (pH 6-8) | 3.54 | 4.43 | -37.04 | 2 | 10 | -1 | 152 | 422.421 | 6 | ↓ |