UCSF

ZINC53386078

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 19 No

Popular Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-N'-[2-(2-thienyl)ethyl]ethane-1,2-diamine N-[(3S)-1,1-dioxothiolan-3-yl]-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) 1.00 2.67 -59.23 2 4 1 54 303.473 7 ↓
Hi High (pH 8-9.5) 1.00 1.32 -12.62 1 4 0 49 302.465 7 ↓
Lo Low (pH 4.5-6) 1.00 4.93 -148.5 3 4 2 55 304.481 7 ↓

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

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