UCSF

ZINC36125270

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 26 Yes

Popular Name: 3-[(2R,6R)-4-(1,3-benzodioxol-5-ylsulfonyl)-2,6-dimethyl-piperazin-1-yl]-N,N-dimethyl-propan-1-amine 3-[(2R,6R)-4-(1,3-benzodioxol-5-…

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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) 1.99 4.56 -43.38 1 7 1 64 384.522 6 ↓
Mid Mid (pH 6-8) 1.99 6.56 -111.28 2 7 2 65 385.53 6 ↓
Mid Mid (pH 6-8) 1.99 4.09 -44.76 1 7 1 64 384.522 6 ↓

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

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