UCSF

ZINC62996887

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 21 No

Popular Name: N1,N1-diethyl-N4-(3-thia-1-azaspiro[4.4]non-1-en-2-yl)benzene-1,4-diamine N1,N1-diethyl-N4-(3-thia-1-azasp…

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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) 4.42 9.85 -24.04 2 3 1 29 304.483 5 ↓
Hi High (pH 8-9.5) 4.42 9 -5.11 1 3 0 28 303.475 5 ↓
Mid Mid (pH 6-8) 4.42 9.97 -25.6 3 3 0 30 305.491 5 ↓
Lo Low (pH 4.5-6) 4.42 9.41 -25.32 2 3 0 29 304.483 4 ↓

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Rings

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

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