In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 24th, 2006 | 28 | 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) | 2.53 | 7.05 | -61.5 | 0 | 6 | -1 | 79 | 384.383 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.98 | 0.83 | -20.05 | 1 | 6 | 0 | 76 | 385.391 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.95 | 0.74 | -13.34 | 0 | 6 | 0 | 72 | 385.391 | 7 | ↓ |