UCSF

ZINC41636523

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 24 Yes

Popular Name: 5-[(S)-(2-chlorophenyl)-(4-methylpiperazin-1-yl)methyl]thiazolo[2,3-e][1,2,4]triazol-6-ol 5-[(S)-(2-chlorophenyl)-(4-methy…

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Vendors

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) 2.75 6.91 -42.52 2 6 1 58 364.882 3 ↓
Hi High (pH 8-9.5) 2.75 5.22 -47.54 0 6 -1 60 362.866 3 ↓
Mid Mid (pH 6-8) 2.75 4.51 -6.93 1 6 0 57 363.874 3 ↓
Mid Mid (pH 6-8) 2.75 7.61 -60.2 1 6 0 61 363.874 3 ↓

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

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