UCSF

ZINC95067992

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2013 18 Yes

CAS Number: 2578-33-8

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) -0.83 6.55 -44.95 3 5 0 94 251.282 8
Hi High (pH 8-9.5) -0.83 6.2 -48.82 2 5 -1 92 250.274 8

Vendor Notes

Note Type Comments Provided By
Melting_Point 158? Alfa-Aesar

Activity (Go SEA)

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

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