In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 15th, 2009 | 11 | 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) | 0.30 | 3.28 | -27.48 | 2 | 3 | 1 | 31 | 152.221 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.30 | 2.81 | -7.63 | 1 | 3 | 0 | 30 | 151.213 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.30 | 4.64 | -102.94 | 3 | 3 | 2 | 36 | 153.229 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.30 | 4.19 | -40.7 | 2 | 3 | 1 | 34 | 152.221 | 4 | ↓ |