In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 23rd, 2009 | 29 | Yes |
None
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) | 1.99 | 6.88 | -42.05 | 4 | 7 | 1 | 91 | 396.515 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.05 | 3.89 | -17.93 | 3 | 7 | 0 | 94 | 395.507 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.99 | 6.41 | -13.62 | 3 | 7 | 0 | 90 | 395.507 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.05 | 3.86 | -17.02 | 3 | 7 | 0 | 94 | 395.507 | 3 | ↓ |
Hi High (pH 8-9.5) | 1.99 | 6.44 | -13.65 | 3 | 7 | 0 | 90 | 395.507 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.05 | 5.04 | -57.2 | 4 | 7 | 1 | 98 | 396.515 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.99 | 7.59 | -52.08 | 4 | 7 | 1 | 95 | 396.515 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.05 | 5.03 | -56.59 | 4 | 7 | 1 | 98 | 396.515 | 3 | ↓ |