In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 17th, 2010 | 12 | Yes |
Popular Name: N-[(5-ethyl-1H-1,2,4-triazol-3-yl)methyl]cyclopropanamine N-[(5-ethyl-1H-1,2,4-triazol-3-y…
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) | 0.08 | 3.53 | -33.3 | 3 | 4 | 1 | 58 | 167.236 | 4 | ↓ |
Hi High (pH 8-9.5) | 0.08 | 2.25 | -6.57 | 2 | 4 | 0 | 54 | 166.228 | 4 | ↓ |
Mid Mid (pH 6-8) | 0.08 | 3.4 | -31.96 | 2 | 4 | 0 | 56 | 166.228 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.