In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 13th, 2010 | 37 | 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) | 3.86 | 9.42 | -60.43 | 0 | 7 | -1 | 82 | 503.55 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.86 | 11.7 | -76.17 | 1 | 7 | 0 | 83 | 504.558 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.86 | 10.95 | -52.24 | 2 | 7 | 1 | 81 | 505.566 | 8 | ↓ |