In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 25th, 2007 | 32 | 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) | 2.47 | 5.95 | -57.55 | 0 | 7 | -1 | 82 | 439.463 | 7 | ↓ |
Mid Mid (pH 6-8) | 1.89 | 0.04 | -54.19 | 1 | 7 | 1 | 77 | 441.479 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.47 | 8.28 | -70.57 | 1 | 7 | 0 | 83 | 440.471 | 7 | ↓ |