UCSF

ZINC36125287

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Substance Information

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

Popular Name: 3-[(2S,6S)-4-[(5-chloro-2-thienyl)sulfonyl]-2,6-dimethyl-piperazin-1-yl]-N,N-dimethyl-propan-1-amine 3-[(2S,6S)-4-[(5-chloro-2-thieny…

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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) 2.85 5.45 -41.59 1 5 1 45 380.987 6 ↓
Mid Mid (pH 6-8) 2.85 7.52 -110.12 2 5 2 46 381.995 6 ↓
Mid Mid (pH 6-8) 2.85 5.05 -42.75 1 5 1 45 380.987 6 ↓

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

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