In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 18th, 2011 | 12 | Yes |
Popular Name: (3E)-3-(1-isopropylpyrrolidin-3-ylidene)propan-1-amine (3E)-3-(1-isopropylpyrrolidin-3-…
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) | 0.68 | 4.52 | -87.51 | 4 | 2 | 2 | 32 | 170.3 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.68 | 2.06 | -43.5 | 3 | 2 | 1 | 31 | 169.292 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.