UCSF

ZINC22941024

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 30 No

Popular Name: (4S)-2-(1,3-benzothiazol-2-yl)-4-(C-methyl-N-(2-piperazin-1-ylethyl)carbonimidoyl)-5-(trifluoromethy (4S)-2-(1,3-benzothiazol-2-yl)-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) 2.70 5.7 -58.71 3 7 1 80 439.487 6 ↓
Ref Reference (pH 7) 2.76 5.07 -48.71 3 7 1 83 439.487 6 ↓
Hi High (pH 8-9.5) 2.70 4.35 -18.94 2 7 0 75 438.479 6 ↓
Hi High (pH 8-9.5) 2.70 4.86 -17.54 2 7 0 75 438.479 6 ↓
Mid Mid (pH 6-8) 3.22 3.48 -63.39 2 7 0 86 438.479 6 ↓
Mid Mid (pH 6-8) 2.76 4.9 -45.81 3 7 1 83 439.487 6 ↓

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