In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2010 | 14 | Yes |
Popular Name: N-[(2R)-2-[(3S)-3-methylpyrrolidin-1-yl]butyl]cyclopropanamine N-[(2R)-2-[(3S)-3-methylpyrrolid…
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) | 2.24 | 7.19 | -106.7 | 3 | 2 | 2 | 21 | 198.354 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.24 | 7.24 | -28.24 | 2 | 2 | 1 | 16 | 197.346 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.24 | 5.07 | -31.12 | 2 | 2 | 1 | 20 | 197.346 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.