UCSF

ZINC36126359

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 1-[(3R,5R)-4-(2-dimethylaminoethyl)-3,5-dimethyl-piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one 1-[(3R,5R)-4-(2-dimethylaminoeth…

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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) 2.62 8.37 -45.07 1 5 1 37 348.511 7 ↓
Hi High (pH 8-9.5) 2.62 5.91 -8.3 0 5 0 36 347.503 7 ↓
Lo Low (pH 4.5-6) 2.62 10.39 -119.43 2 5 2 38 349.519 7 ↓

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

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