In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 2nd, 2010 | 24 | 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) | 4.35 | 10.26 | -34.96 | 1 | 3 | 1 | 21 | 383.313 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.35 | 9.83 | -4.66 | 0 | 3 | 0 | 19 | 382.305 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.35 | 12.47 | -94.89 | 2 | 3 | 2 | 22 | 384.321 | 3 | ↓ |
Mid Mid (pH 6-8) | 4.35 | 12.04 | -44.56 | 1 | 3 | 1 | 21 | 383.313 | 3 | ↓ |