UCSF

ZINC70004103

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2011 23 Yes

Popular Name: 3-[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-piperidyl]-N,N-dimethyl-propane-1-sulfonamide 3-[(3S)-3-[(3,5-dimethyl-1,2,4-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) 0.11 6.97 -61.16 1 7 1 73 344.505 7 ↓
Hi High (pH 8-9.5) 0.11 4.76 -17.83 0 7 0 71 343.497 7 ↓
Lo Low (pH 4.5-6) 0.11 7.4 -105.43 2 7 2 74 345.513 7 ↓

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

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