UCSF

ZINC95535234

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2013 27 Yes

CAS Number: 108321-39-7

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) 2.53 5.93 -77.48 4 7 0 115 370.405 9
Mid Mid (pH 6-8) 2.53 4.97 -53.38 3 7 -1 114 369.397 9

Vendor Notes

Note Type Comments Provided By
Melting_Point ca 185? dec Alfa-Aesar

Activity (Go SEA)

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

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