UCSF

ZINC19726747

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 17 Yes

Popular Name: 2-(azepan-1-ylmethyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine 2-(azepan-1-ylmethyl)-4,5,6,7-te…

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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) 1.89 6.32 -91.6 3 3 2 34 253.415 2 ↓
Hi High (pH 8-9.5) 1.89 2.96 -5.93 1 3 0 28 251.399 2 ↓
Mid Mid (pH 6-8) 1.89 4.38 -46.27 2 3 1 33 252.407 2 ↓
Mid Mid (pH 6-8) 1.89 4.89 -34.53 2 3 1 29 252.407 2 ↓

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

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