In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2010 | 17 | Yes |
Popular Name: N-[(2S)-3-methyl-2-(4-methyl-1,4-diazepan-1-yl)butyl]cyclopropanamine N-[(2S)-3-methyl-2-(4-methyl-1,4…
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) | 1.76 | 7.24 | -96.47 | 3 | 3 | 2 | 24 | 241.423 | 5 | ↓ |
Hi High (pH 8-9.5) | 1.76 | 5.64 | -31.85 | 2 | 3 | 1 | 23 | 240.415 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.