In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 2011 | 21 | Yes |
Popular Name: N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-9-azaspiro[5.5]undecan-3-amine N-[(4-propyl-1,2,4-triazol-3-yl)…
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) | 0.84 | 8.49 | -101.33 | 4 | 5 | 2 | 64 | 293.459 | 5 | ↓ |
Hi High (pH 8-9.5) | 0.84 | 7.3 | -47.79 | 3 | 5 | 1 | 59 | 292.451 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.