UCSF

ZINC96171495

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2014 13 Yes

CAS Number: 23150-65-4

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.47 0.8 -5.72 2 5 0 71 191.227 8
Mid Mid (pH 6-8) -0.47 1.1 -44.69 3 5 1 72 192.235 8

Vendor Notes

Note Type Comments Provided By
Melting_Point 99-103? Alfa-Aesar
Melting_Point 99-103° Alfa-Aesar

Activity (Go SEA)

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

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