UCSF

ZINC37318568

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 Yes

Popular Name: (1S,2S)-2-methoxy-N-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]cyclohexa (1S,2S)-2-methoxy-N-[(1R)-1-(6,7…

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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) 2.25 7.13 -41.89 2 5 1 57 293.435 4 ↓
Hi High (pH 8-9.5) 2.25 6.28 -13.66 1 5 0 52 292.427 4 ↓

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

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