UCSF

ZINC49917770

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2010 45 No

Popular Name: N-[[3-[4-[(1,3-benzodioxol-5-ylmethylamino)methyl]phenyl]phenyl]methyl]-3-cyclopentyl-N-[3-(4-methyl N-[[3-[4-[(1,3-benzodioxol-5-ylm…

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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) 6.20 18.05 -97.08 3 7 2 63 612.859 14 ↓
Hi High (pH 8-9.5) 6.20 15.68 -57.24 2 7 1 62 611.851 14 ↓
Hi High (pH 8-9.5) 6.20 14.32 -14.63 1 7 0 57 610.843 14 ↓
Mid Mid (pH 6-8) 6.20 17.94 -105.64 3 7 2 63 612.859 14 ↓

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

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