In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 6th, 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) | 0.61 | 4.42 | -57.33 | 0 | 9 | -1 | 104 | 452.487 | 8 | ↓ |
Mid Mid (pH 6-8) | 1.06 | 7.04 | -54.5 | 2 | 9 | 1 | 103 | 454.503 | 7 | ↓ |
Mid Mid (pH 6-8) | 0.61 | 6.76 | -74.95 | 1 | 9 | 0 | 105 | 453.495 | 8 | ↓ |
Lo Low (pH 4.5-6) | 1.06 | 7.32 | -110.19 | 3 | 9 | 2 | 104 | 455.511 | 7 | ↓ |