In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2009 | 14 | 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) | 0.99 | 6.86 | -37.55 | 2 | 3 | 1 | 34 | 188.254 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.99 | 6.41 | -6.16 | 1 | 3 | 0 | 30 | 187.246 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.99 | 7.66 | -94.47 | 3 | 3 | 2 | 36 | 189.262 | 3 | ↓ |