UCSF

ZINC05698934

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 23 Yes

Other Names:

MFCD01443641

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.28 1.98 -49 1 2 1 21 369.699 3

Vendor Notes

Note Type Comments Provided By
melting_point 79 - 80 KeyOrganics

Activity (Go SEA)

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