UCSF

ZINC52382862

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 21 Yes

Popular Name: N-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)thiazol-2-yl]methyl]-2-methyl-propan-1-amine N-[[4-(6,7-dihydro-4H-thieno[3,2…

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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) 2.59 6.97 -40.76 2 3 1 33 322.523 6 ↓
Hi High (pH 8-9.5) 2.59 5.74 -6.18 1 3 0 28 321.515 6 ↓
Lo Low (pH 4.5-6) 2.59 9.16 -96.57 3 3 2 34 323.531 6 ↓

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

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