UCSF

ZINC58328241

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 23 Yes

Popular Name: (2S)-2-(2-furyl)-2-pyrrolidin-1-yl-N-[[(6S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]e (2S)-2-(2-furyl)-2-pyrrolidin-1-…

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Physical Representations

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) 1.31 4.65 -54.83 3 6 1 63 316.429 6 ↓
Mid Mid (pH 6-8) 1.31 7.21 -41.06 3 6 1 59 316.429 6 ↓
Mid Mid (pH 6-8) 1.31 7.09 -132.51 4 6 2 64 317.437 6 ↓
Lo Low (pH 4.5-6) 1.31 7.25 -189.47 5 6 3 65 318.445 6 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.