UCSF

ZINC00250523

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 Yes

Popular Name: 4-[(Thiophen-2-ylmethyl)-amino]-phenol 4-[(Thiophen-2-ylmethyl)-amino]-…

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CAS Numbers: 3139-28-4 , [3139-28-4]

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) 2.61 3.35 -4.64 2 2 0 32 205.282 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 107-108° Matrix Scientific
Warnings IRRITANT Matrix Scientific

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