UCSF

ZINC45619328

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 28 Yes

Popular Name: [5-[2-(2-thienyl)ethylamino]-1,3,4-thiadiazol-2-yl]sulfanylmethylBLAHone [5-[2-(2-thienyl)ethylamino]-1,3…

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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) 4.10 9.15 -16.05 2 6 0 84 447.636 7 ↓
Hi High (pH 8-9.5) 4.56 6.69 -53.36 1 6 -1 87 446.628 7 ↓

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

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