UCSF

ZINC22931795

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 27 Yes

Popular Name: N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-[(2S)-1-ethylpyrrolidin-2-yl]-N-(3-pyridylmethyl)methana N-[(6-chloro-1,3-benzodioxol-5-y…

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Download: MOL2 SDF SMILES Flexibase

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) 3.20 7.67 -42.44 1 5 1 39 388.919 7 ↓
Hi High (pH 8-9.5) 3.19 6.38 -6.2 0 5 0 38 387.911 7 ↓
Mid Mid (pH 6-8) 3.20 10.1 -29.97 1 5 1 39 388.919 7 ↓
Lo Low (pH 4.5-6) 3.20 9.19 -89.52 2 5 2 40 389.927 7 ↓

Activity (Go SEA)

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

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