In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 23rd, 2009 | 36 | 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) | 1.92 | 7.41 | -43.97 | 4 | 10 | 1 | 119 | 500.62 | 9 | ↓ |
Ref Reference (pH 7) | 1.92 | 7.52 | -45.49 | 4 | 10 | 1 | 119 | 500.62 | 9 | ↓ |
Hi High (pH 8-9.5) | 1.92 | 6.95 | -16.26 | 3 | 10 | 0 | 118 | 499.612 | 9 | ↓ |
Hi High (pH 8-9.5) | 1.92 | 7.06 | -15.64 | 3 | 10 | 0 | 118 | 499.612 | 9 | ↓ |
Mid Mid (pH 6-8) | 1.92 | 8.15 | -58.23 | 4 | 10 | 1 | 122 | 500.62 | 9 | ↓ |