UCSF

ZINC24991004

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 24 No

Popular Name: 3-[[(3,4-dichlorophenyl)methyl-methyl-amino]methyl]-5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole-2-thi 3-[[(3,4-dichlorophenyl)methyl-m…

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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) 2.89 9.63 -114.98 2 5 2 40 389.352 6 ↓
Hi High (pH 8-9.5) 2.89 4.62 -11.45 0 5 0 37 387.336 6 ↓
Mid Mid (pH 6-8) 2.89 7.09 -47.75 1 5 1 39 388.344 6 ↓

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

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