UCSF

ZINC60021299

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 32 No

Popular Name: (6R,7S)-3-[[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-[[(3S)-3-amino-3-(2-thienyl)prop (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) -2.07 2.56 -115.52 7 10 1 171 513.672 9 ↓
Hi High (pH 8-9.5) -2.07 1.84 -67.26 5 10 -1 167 511.656 9 ↓
Mid Mid (pH 6-8) -2.07 2.21 -95.21 6 10 0 169 512.664 9 ↓
Mid Mid (pH 6-8) -2.07 2.17 -82.92 6 10 0 169 512.664 9 ↓

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

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