In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2008 | 27 | No |
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) | 0.49 | 6.79 | -62.5 | 1 | 8 | 0 | 96 | 372.425 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.49 | 4.27 | -48.9 | 0 | 8 | -1 | 95 | 371.417 | 6 | ↓ |
Mid Mid (pH 6-8) | 0.93 | 6.13 | -49.24 | 2 | 8 | 1 | 93 | 373.433 | 5 | ↓ |
Mid Mid (pH 6-8) | -0.10 | 6.6 | -55.11 | 1 | 8 | 1 | 90 | 373.433 | 6 | ↓ |