In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
July 22nd, 2010 | 21 | Yes |
Popular Name: (2S)-2-(aminomethyl)-N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-3-phenyl-propanamide (2S)-2-(aminomethyl)-N-[(3S)-1-c…
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) | 0.91 | 6.22 | -104.01 | 5 | 4 | 2 | 61 | 289.423 | 6 | ↓ |
Hi High (pH 8-9.5) | 0.91 | 5.7 | -39.9 | 4 | 4 | 1 | 60 | 288.415 | 6 | ↓ |