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) | 0.12 | 1.68 | -14.03 | 1 | 8 | 0 | 75 | 439.528 | 10 | ↓ |
Mid Mid (pH 6-8) | 0.12 | 3.97 | -47.77 | 2 | 8 | 1 | 76 | 440.536 | 10 | ↓ |
Lo Low (pH 4.5-6) | 0.12 | 4 | -50.84 | 2 | 8 | 1 | 76 | 440.536 | 10 | ↓ |