In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 23rd, 2011 | 19 | Yes |
Popular Name: (3S)-3-[4-(pyrrolidin-1-ylmethyl)-1-piperidyl]pentanamidine (3S)-3-[4-(pyrrolidin-1-ylmethyl…
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) | 1.77 | 6.67 | -183.96 | 6 | 4 | 3 | 60 | 269.457 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.77 | 4.96 | -79.13 | 5 | 4 | 2 | 59 | 268.449 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.