UCSF

ZINC65568025

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2011 29 No

Popular Name: (2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-4-[[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]-3-oxo (2Z)-2-(3H-1,3-benzothiazol-2-yl…

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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) 3.72 9.5 -12.68 2 7 0 107 421.507 6 ↓
Hi High (pH 8-9.5) 3.20 9.19 -53.02 0 7 -1 103 420.499 7 ↓
Mid Mid (pH 6-8) 3.20 9.3 -21.73 1 7 0 105 421.507 7 ↓

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

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