In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 20th, 2010 | 29 | No |
None
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) | 2.04 | 4.64 | -41.93 | 3 | 7 | 1 | 91 | 399.467 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.04 | 3.14 | -48.99 | 1 | 7 | -1 | 93 | 397.451 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.04 | 5.4 | -28.68 | 2 | 7 | 0 | 94 | 398.459 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.04 | 4.69 | -40.83 | 3 | 7 | 1 | 91 | 399.467 | 5 | ↓ |
Mid Mid (pH 6-8) | 2.04 | 2.39 | -12.18 | 2 | 7 | 0 | 90 | 398.459 | 5 | ↓ |