In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 23rd, 2009 | 31 | Yes |
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) | 0.10 | 1.07 | -18.52 | 1 | 8 | 0 | 75 | 439.528 | 10 | ↓ |
Mid Mid (pH 6-8) | 0.10 | 3.38 | -58.6 | 2 | 8 | 1 | 76 | 440.536 | 10 | ↓ |
Lo Low (pH 4.5-6) | 0.10 | 3.43 | -57.77 | 2 | 8 | 1 | 76 | 440.536 | 10 | ↓ |