In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 15th, 2011 | 21 | Yes |
Popular Name: 3-amino-4-[ethyl(3-pyrrolidin-1-ylpropyl)amino]benzoic 3-amino-4-[ethyl(3-pyrrolidin-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) | 2.44 | 9.4 | -73.04 | 3 | 5 | 0 | 74 | 291.395 | 7 | ↓ |
Lo Low (pH 4.5-6) | 2.44 | 9.31 | -100.82 | 4 | 5 | 1 | 75 | 292.403 | 7 | ↓ |
No pre-computed analogs available. Try a structural similarity search.