In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2010 | 17 | Yes |
Popular Name: (2S)-N1-cyclopropyl-2-phenyl-N1-propyl-propane-1,2-diamine (2S)-N1-cyclopropyl-2-phenyl-N1-…
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) | 3.03 | 8.03 | -29.59 | 3 | 2 | 1 | 30 | 233.379 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.03 | 6.13 | -1.29 | 2 | 2 | 0 | 29 | 232.371 | 6 | ↓ |
Lo Low (pH 4.5-6) | 3.03 | 7.55 | -117.76 | 4 | 2 | 2 | 32 | 234.387 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.