UCSF

ZINC56683463

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2011 23 No

Popular Name: 2-[(Z)-[3-sulfanyl-5-(2,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)-1,2,4-triazol-4-yl]iminomethyl]ph 2-[(Z)-[3-sulfanyl-5-(2,4,5,6-te…

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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) 2.58 5 -50.55 2 7 -1 92 325.377 3 ↓
Hi High (pH 8-9.5) 2.58 5.66 -109.49 1 7 -2 95 324.369 3 ↓
Mid Mid (pH 6-8) 1.85 4.85 -14.47 3 7 0 95 326.385 3 ↓

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

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