UCSF

ZINC01700199

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 12 No

Popular Name: 4-Nitrophenetole 4-Nitrophenetole

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CAS Number: 100-29-8

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) 2.33 1.76 -6.23 0 4 0 55 167.164 3 ↓

Vendor Notes

Note Type Comments Provided By
BP 112 / 3 TCI
MP 59 TCI

Activity (Go SEA)

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