In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2009 | 10 | 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) | 1.25 | 2.83 | -35.89 | 2 | 2 | 1 | 20 | 145.27 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.25 | 1.3 | -0.83 | 1 | 2 | 0 | 15 | 144.262 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.25 | 4.8 | -105.43 | 3 | 2 | 2 | 21 | 146.278 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.25 | 3.34 | -31.19 | 2 | 2 | 1 | 16 | 145.27 | 5 | ↓ |