UCSF

ZINC36125310

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Substance Information

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

Popular Name: 3-[(2S,6R)-4-[(4-chlorophenyl)methylsulfonyl]-2,6-dimethyl-piperazin-1-yl]-N,N-dimethyl-propan-1-ami 3-[(2S,6R)-4-[(4-chlorophenyl)me…

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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) 2.84 6.79 -50.58 1 5 1 45 388.985 7 ↓
Mid Mid (pH 6-8) 2.84 8.89 -108.32 2 5 2 46 389.993 7 ↓

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

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