UCSF

ZINC58563611

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2011 31 Yes

Popular Name: 2-[5-(2-bromophenyl)-1H-pyrazol-3-yl]-6-[(2R,3S)-2-(hydroxymethyl)-1-methyl-pyrrolidin-3-yl]-3,5-dim 2-[5-(2-bromophenyl)-1H-pyrazol-…

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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) 3.59 5.31 -41.94 4 7 1 92 489.39 6 ↓
Mid Mid (pH 6-8) 3.59 6.06 -44.88 3 7 0 95 488.382 6 ↓

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

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