In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 27th, 2008 | 35 | 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) | 2.82 | 6.42 | -49.68 | 3 | 8 | 1 | 93 | 478.569 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.82 | 7.04 | -29.24 | 2 | 8 | 0 | 95 | 477.561 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.82 | 4.08 | -15.2 | 2 | 8 | 0 | 91 | 477.561 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.82 | 4.71 | -49.36 | 1 | 8 | -1 | 94 | 476.553 | 7 | ↓ |