In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 10th, 2011 | 18 | Yes |
Popular Name: (1S,2S)-1-(4-chlorophenyl)-N1-(cyclobutylmethyl)-N1-methyl-propane-1,2-diamine (1S,2S)-1-(4-chlorophenyl)-N1-(c…
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) | 2.85 | 6.67 | -43.99 | 3 | 2 | 1 | 31 | 267.824 | 5 | ↓ |
Lo Low (pH 4.5-6) | 2.85 | 8.14 | -121.87 | 4 | 2 | 2 | 32 | 268.832 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.