UCSF

ZINC54723796

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 28 Yes

Popular Name: N,N-dimethyl-2-[2-[4-(3-pyridylmethyl)piperazine-1-carbonyl]phenyl]sulfanyl-acetamide N,N-dimethyl-2-[2-[4-(3-pyridylm…

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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) 0.25 7.18 -20.98 0 6 0 57 398.532 6 ↓
Lo Low (pH 4.5-6) 0.25 9.4 -54.42 1 6 1 58 399.54 6 ↓

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

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