UCSF

ZINC39500499

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 28 Yes

Popular Name: (2R,3R)-1'-(2H-imidazol-2-ylmethyl)-3-(4-methylpiperazin-1-yl)spiro[indane-1,4'-piperidine]-2-ol (2R,3R)-1'-(2H-imidazol-2-ylmeth…

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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) 1.02 4.53 -87.53 3 6 2 57 383.54 3 ↓
Hi High (pH 8-9.5) 1.02 -0.03 -7.26 1 6 0 55 381.524 3 ↓
Mid Mid (pH 6-8) 1.02 2.17 -35.43 2 6 1 56 382.532 3 ↓

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

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