In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 6th, 2010 | 20 | 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) | 2.32 | 6.34 | -10.4 | 1 | 4 | 0 | 59 | 267.263 | 2 | ↓ |
Mid Mid (pH 6-8) | 2.77 | 4.48 | -46.02 | 0 | 4 | -1 | 62 | 266.255 | 2 | ↓ |
Lo Low (pH 4.5-6) | 2.32 | 6.8 | -44.76 | 2 | 4 | 1 | 60 | 268.271 | 2 | ↓ |