UCSF

ZINC41633616

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 27 No

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

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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) 2.14 6.7 -50.3 2 9 1 104 389.461 4 ↓
Hi High (pH 8-9.5) 2.14 4.32 -11.01 1 9 0 103 388.453 4 ↓
Hi High (pH 8-9.5) 2.14 5.03 -52.8 0 9 -1 106 387.445 4 ↓

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

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