UCSF

ZINC95068022

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2013 27 Yes

CAS Number: 2212-76-2

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) 2.96 6.5 -59.75 2 8 -1 117 377.417 10

Vendor Notes

Note Type Comments Provided By
Melting_Point 154-157? Alfa-Aesar

Activity (Go SEA)

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

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