UCSF

ZINC39500898

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2010 24 No

Popular Name: 3-[[[(4R)-3-(4-chlorophenyl)-4H-pyrazol-4-yl]methylamino]methyl]-N,N-dimethyl-pyridin-2-amine 3-[[[(4R)-3-(4-chlorophenyl)-4H-…

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Vendors

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) 2.93 8.62 -65.28 2 5 1 57 342.854 6 ↓
Hi High (pH 8-9.5) 2.93 7.23 -11.9 1 5 0 53 341.846 6 ↓
Mid Mid (pH 6-8) 2.93 9.08 -126.1 3 5 2 59 343.862 6 ↓
Mid Mid (pH 6-8) 2.93 7.71 -40.2 2 5 1 54 342.854 6 ↓

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

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