UCSF

ZINC95535290

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2013 0 No

CAS Number: 84000-11-3

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) 2.23 14.09 -39.39 1 5 0 71 367.445 8
Mid Mid (pH 6-8) 2.23 12.38 -52.59 0 5 -1 70 366.437 8

Vendor Notes

Note Type Comments Provided By
Melting_Point 187-190? Alfa-Aesar

Activity (Go SEA)

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

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