UCSF

ZINC60021321

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 31 No

Popular Name: (6R,7S)-3-[[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-[[(2R)-2-hydroxy-2-(2-thienyl)ac (6R,7S)-3-[[5-(aminomethyl)-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) -0.64 2.24 -94.74 5 10 0 163 499.621 8 ↓
Hi High (pH 8-9.5) -0.64 2.54 -128.05 3 10 -2 164 497.605 8 ↓
Mid Mid (pH 6-8) -0.64 1.84 -68.36 4 10 -1 162 498.613 8 ↓

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

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