In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2010 | 15 | Yes |
Popular Name: N-[(2S)-2-(4-ethylpiperazin-1-yl)propyl]cyclopropanamine N-[(2S)-2-(4-ethylpiperazin-1-yl…
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) | 1.09 | 5.4 | -87.17 | 3 | 3 | 2 | 24 | 213.369 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.09 | 3.12 | -33.15 | 2 | 3 | 1 | 23 | 212.361 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.09 | 4.98 | -110.43 | 3 | 3 | 2 | 24 | 213.369 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.