UCSF

ZINC54421532

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 27 No

Popular Name: 1-[(4-benzylpiperazin-1-yl)methyl]-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-thione 1-[(4-benzylpiperazin-1-yl)methy…

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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) 2.24 13.29 -62.16 1 6 1 43 383.545 4 ↓
Mid Mid (pH 6-8) 2.24 11.02 -26.04 0 6 0 42 382.537 4 ↓
Mid Mid (pH 6-8) 2.24 12.72 -59.46 1 6 1 43 383.545 4 ↓

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

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