UCSF

ZINC18039844

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2008 23 No

Popular Name: HYDROBENZAMIDE HYDROBENZAMIDE

Find On: PubMed — Wikipedia — Google

CAS Number: 92-29-5

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) 4.80 11.63 -35.64 1 2 1 26 299.397 5 ↓
Ref Reference (pH 7) 4.80 10.54 -34.09 1 2 1 26 299.397 5 ↓
Hi High (pH 8-9.5) 4.80 11.63 -35.64 1 2 1 26 299.397 5 ↓
Hi High (pH 8-9.5) 4.80 10.83 -8.64 0 2 0 25 298.389 5 ↓
Hi High (pH 8-9.5) 4.80 9.48 -30.85 1 2 1 26 299.397 5 ↓
Hi High (pH 8-9.5) 4.80 9.79 -8.86 0 2 0 25 298.389 5 ↓
Hi High (pH 8-9.5) 4.80 10.23 -31.14 1 2 1 26 299.397 5 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 102-105? Alfa-Aesar
Melting_Point 102-105° Alfa-Aesar

Activity (Go SEA)

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

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