UCSF

ZINC70091445

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2011 21 Yes

Popular Name: (1S)-1-(3-methyl-2-thienyl)-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl (1S)-1-(3-methyl-2-thienyl)-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) 3.11 8.78 -39.08 2 4 1 47 305.471 4 ↓
Hi High (pH 8-9.5) 3.11 7.98 -10.84 1 4 0 43 304.463 4 ↓

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

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