UCSF

ZINC66139134

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 46 No

Popular Name: (2S)-6-amino-2-[4-(aminomethyl)triazol-1-yl]-1-[4-[4-morpholino-6-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy (2S)-6-amino-2-[4-(aminomethyl)t…

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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) -0.58 10.24 -114.46 7 17 2 200 646.798 20 ↓
Hi High (pH 8-9.5) -0.58 9.83 -56.95 6 17 1 199 645.79 20 ↓
Mid Mid (pH 6-8) -0.58 10 -153.26 8 17 3 202 647.806 20 ↓
Mid Mid (pH 6-8) -0.58 10.42 -163.26 8 17 3 202 647.806 20 ↓
Mid Mid (pH 6-8) -0.58 10.48 -166 8 17 3 202 647.806 20 ↓

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

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