UCSF

ZINC67434178

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 27 Yes

Popular Name: 3-[[2,4-dimethyl-5-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,7,10-triazaspiro[5.5]undecan-11-one 3-[[2,4-dimethyl-5-(1,2,4-triazo…

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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) 0.82 8.01 -38.4 3 7 1 76 369.493 4 ↓
Hi High (pH 8-9.5) 0.82 6.35 -11.34 2 7 0 75 368.485 4 ↓

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

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