In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 17th, 2010 | 21 | Yes |
Popular Name: 4-[4-(tetrazolo[1,5-a]pyrazin-5-yl)-1,4-diazepan-1-yl]butan-1-amine 4-[4-(tetrazolo[1,5-a]pyrazin-5-…
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) | -0.54 | 4.77 | -108.75 | 4 | 8 | 2 | 91 | 292.391 | 5 | ↓ |
Hi High (pH 8-9.5) | -0.54 | 2.98 | -49.82 | 3 | 8 | 1 | 90 | 291.383 | 5 | ↓ |