UCSF

ZINC36216315

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 25 Yes

Popular Name: [(3S,5R)-4-[3-(dimethylamino)propyl]-3,5-dimethyl-piperazin-1-yl]-[2-(dimethylamino)-3-pyridyl]metha [(3S,5R)-4-[3-(dimethylamino)pro…

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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) 0.91 7.63 -43.14 1 6 1 44 348.515 6 ↓
Mid Mid (pH 6-8) 0.91 7.2 -44.52 1 6 1 44 348.515 6 ↓
Lo Low (pH 4.5-6) 0.91 10.02 -168.77 3 6 3 47 350.531 6 ↓
Lo Low (pH 4.5-6) 0.91 8.1 -82.9 2 6 2 45 349.523 6 ↓

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

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