In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 7th, 2007 | 33 | 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) | 2.70 | 6.7 | -67.19 | 0 | 7 | -1 | 82 | 453.49 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.14 | 9.34 | -44.24 | 2 | 7 | 1 | 81 | 455.506 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.70 | 9.03 | -78.95 | 1 | 7 | 0 | 83 | 454.498 | 8 | ↓ |