UCSF

ZINC61324952

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 20 Yes

Popular Name: (1S)-1-(2-furyl)-N,N-dimethyl-N'-[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]ethane-1,2-diamine (1S)-1-(2-furyl)-N,N-dimethyl-N'…

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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) 2.06 6.89 -39.44 2 3 1 33 291.44 5 ↓
Mid Mid (pH 6-8) 2.06 7.93 -34.2 2 3 1 30 291.44 5 ↓
Lo Low (pH 4.5-6) 2.06 8.93 -115.47 3 3 2 34 292.448 5 ↓

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

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