UCSF

ZINC87515328

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2013 0 No

Popular Name: N-benzylformamide N-benzylformamide

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CAS Number: 6343-54-0

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) 0.88 2.78 -7.45 1 2 0 29 135.166 2 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 3.97e+00 g/l DrugBank-experimental
Melting_Point 60-61? Alfa-Aesar
Melting_Point 60-61° Alfa-Aesar
UniProt Database Links NFDA_ARTPS ChEBI

Activity (Go SEA)

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

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