In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 30th, 2009 | 30 | Yes |
Popular Name: (2S)-2-[(2-aminoacetyl)amino]-N-(pyren-1-ylmethyl)butanediamide (2S)-2-[(2-aminoacetyl)amino]-N-…
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) | 2.33 | 3.52 | -53.2 | 7 | 7 | 1 | 129 | 403.462 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.33 | 3.11 | -16.77 | 6 | 7 | 0 | 127 | 402.454 | 7 | ↓ |