UCSF

ZINC62838589

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2011 19 Yes

Popular Name: (1S)-1-phenyl-N'-thieno[3,2-d]pyrimidin-4-yl-ethane-1,2-diamine (1S)-1-phenyl-N'-thieno[3,2-d]py…

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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) 0.39 5.79 -52.12 4 4 1 65 271.369 4 ↓
Hi High (pH 8-9.5) 0.39 5.46 -8.36 3 4 0 64 270.361 4 ↓
Lo Low (pH 4.5-6) 0.39 6.25 -97.17 5 4 2 67 272.377 4 ↓

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

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