UCSF

ZINC36126351

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 25 Yes

Popular Name: [(3S,5R)-4-(2-dimethylaminoethyl)-3,5-dimethyl-piperazin-1-yl]-(1-methylsulfonyl-4-piperidyl)methano [(3S,5R)-4-(2-dimethylaminoethyl…

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Vendors

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) 0.42 3.44 -57.03 1 7 1 65 375.559 5 ↓
Hi High (pH 8-9.5) 0.42 0.97 -18.41 0 7 0 64 374.551 5 ↓
Lo Low (pH 4.5-6) 0.42 5.52 -130.97 2 7 2 67 376.567 5 ↓

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

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