UCSF

ZINC56686722

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2011 22 No

Popular Name: 4-[(Z)-benzylideneamino]-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-1,2,4-triazole-3-thiol 4-[(Z)-benzylideneamino]-5-(2,4,…

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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) 2.64 7.56 -54.75 1 6 -1 72 309.378 3 ↓
Mid Mid (pH 6-8) 1.91 7.69 -13.14 2 6 0 75 310.386 3 ↓

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

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