In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 21st, 2011 | 21 | No |
Popular Name: N-(4-pyrrolidin-1-ylphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine N-(4-pyrrolidin-1-ylphenyl)-3-th…
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) | 4.07 | 9.25 | -24.28 | 2 | 3 | 1 | 29 | 302.467 | 3 | ↓ |
Hi High (pH 8-9.5) | 4.07 | 8.4 | -5.34 | 1 | 3 | 0 | 28 | 301.459 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.