UCSF

ZINC64532215

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 37 No

Popular Name: 4-phenyl-5-[4-[2-(4-phenyl-5-sulfanyl-1,2,4-triazol-3-yl)anilino]phenyl]-1,2,4-triazole-3-thiol 4-phenyl-5-[4-[2-(4-phenyl-5-sul…

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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) 7.13 18.26 -102.39 1 7 -2 73 517.643 6 ↓
Mid Mid (pH 6-8) 6.41 18.09 -55.28 2 7 -1 76 518.651 6 ↓
Mid Mid (pH 6-8) 6.41 17.86 -62.03 2 7 -1 76 518.651 6 ↓
Lo Low (pH 4.5-6) 5.68 17.93 -20.3 3 7 0 79 519.659 6 ↓

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Rings

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

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