In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2011 | 17 | Yes |
Popular Name: (R)-(1-methylindolin-5-yl)-[(2S)-pyrrolidin-2-yl]methanol (R)-(1-methylindolin-5-yl)-[(2S)…
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) | 1.37 | 4.16 | -37.71 | 3 | 3 | 1 | 40 | 233.335 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.37 | 3.01 | -4.43 | 2 | 3 | 0 | 35 | 232.327 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.37 | 4.78 | -87 | 4 | 3 | 2 | 41 | 234.343 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.