In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 1st, 2011 | 21 | Yes |
Popular Name: N-cyclopentyl-N-[[1-(1-ethylpropyl)pyrazol-3-yl]methyl]propane-1,3-diamine N-cyclopentyl-N-[[1-(1-ethylprop…
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) | 2.65 | 5.65 | -47.04 | 3 | 4 | 1 | 49 | 293.479 | 9 | ↓ |
Mid Mid (pH 6-8) | 2.65 | 7.77 | -104.52 | 4 | 4 | 2 | 50 | 294.487 | 9 | ↓ |
No pre-computed analogs available. Try a structural similarity search.