UCSF

ZINC01632969

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 14 Yes

Popular Name: 2-Phenylbenzylamine 2-Phenylbenzylamine

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CAS Number: 1924-77-2

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) 2.87 -1.22 -38.99 3 1 1 27 184.262 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 106°/1mm Fluorochem
ALOGPS_SOLUBILITY 7.65e-02 g/l DrugBank-experimental
Purity 92% Fluorochem
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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