In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 28th, 2010 | 12 | Yes |
Popular Name: 3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamidine 3-[(2S)-2-(hydroxymethyl)pyrroli…
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) | -0.54 | -0.21 | -97.31 | 6 | 4 | 2 | 76 | 173.26 | 4 | ↓ |
Hi High (pH 8-9.5) | -0.54 | -2.46 | -34.15 | 5 | 4 | 1 | 75 | 172.252 | 4 | ↓ |