In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2011 | 18 | Yes |
Popular Name: 1-[(3S)-1-[(5-bromo-2-thienyl)methyl]pyrrolidin-3-yl]piperidine 1-[(3S)-1-[(5-bromo-2-thienyl)me…
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) | 3.63 | 8.04 | -34.8 | 1 | 2 | 1 | 8 | 330.315 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.63 | 5.89 | -2.12 | 0 | 2 | 0 | 6 | 329.307 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.