UCSF

ZINC63245253

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2011 30 No

Popular Name: (5S)-4-(4-chlorophenyl)-5-(2H-indol-3-yl)-2-[[(3S)-3-methyl-1-piperidyl]methyl]-1,2,4-triazolidine-3 (5S)-4-(4-chlorophenyl)-5-(2H-in…

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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) 5.46 14.47 -98.05 3 5 2 37 442.032 4 ↓
Hi High (pH 8-9.5) 5.46 12.01 -41.18 2 5 1 36 441.024 4 ↓

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

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