UCSF

ZINC00798246

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 14 Yes

Popular Name: Phenyl-pyridin-3-ylmethyl-amine Phenyl-pyridin-3-ylmethyl-amine

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CAS Numbers: 73570-11-3 , N/A , [73570-11-3]

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) 1.96 5.32 -4.56 1 2 0 25 184.242 3 ↓
Lo Low (pH 4.5-6) 1.96 5.78 -35.1 2 2 1 26 185.25 3 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.10e+00 g/l DrugBank-experimental
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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