UCSF

ZINC37102199

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 Yes

Popular Name: (2R,4S,5R)-1,2,5-trimethyl-N-[3-(1H-tetrazol-5-yl)phenyl]piperidin-4-amine (2R,4S,5R)-1,2,5-trimethyl-N-[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) 3.09 6.09 -67.95 2 6 0 69 286.383 3 ↓
Lo Low (pH 4.5-6) 3.09 6.17 -43.06 3 6 1 71 287.391 3 ↓

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Rings

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

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