UCSF

ZINC41473116

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 21 No

Popular Name: N'-(1,3-dihydrothieno[3,4-b]quinolin-9-yl)-N,N-diethyl-ethane-1,2-diamine N'-(1,3-dihydrothieno[3,4-b]quin…

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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) 3.52 8.89 -85.79 3 3 2 31 303.475 6 ↓
Hi High (pH 8-9.5) 3.52 6.38 -7.04 1 3 0 28 301.459 6 ↓
Hi High (pH 8-9.5) 3.52 6.77 -25.93 2 3 1 29 302.467 6 ↓
Mid Mid (pH 6-8) 3.52 8.52 -47.81 2 3 1 29 302.467 6 ↓

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

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