In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2010 | 16 | Yes |
Popular Name: (1R)-1-(5-cyclopentyl-2-methyl-1,2,4-triazol-3-yl)-2-methyl-propan-1-amine (1R)-1-(5-cyclopentyl-2-methyl-1…
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) | -0.34 | 4.49 | -45.44 | 3 | 4 | 1 | 58 | 223.344 | 3 | ↓ |
Hi High (pH 8-9.5) | -0.34 | 4.82 | -5.88 | 2 | 4 | 0 | 57 | 222.336 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.