In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 6th, 2010 | 19 | Yes |
Popular Name: 4-amino-N-[(2S)-2-methyl-3-(1-piperidyl)propyl]-1H-pyrrole-2-carboxamide 4-amino-N-[(2S)-2-methyl-3-(1-pi…
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) | 1.38 | 4.02 | -43.67 | 5 | 5 | 1 | 75 | 265.381 | 5 | ↓ |
Mid Mid (pH 6-8) | 0.94 | 2.18 | -93.01 | 5 | 5 | 2 | 74 | 266.389 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.