UCSF

ZINC01385452

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2005 20 Yes

Other Names:

MFCD00243454

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) 1.23 -3.17 -40.05 5 7 1 115 307.643 4

Vendor Notes

Note Type Comments Provided By
melting_point 315 - 317 KeyOrganics

Activity (Go SEA)

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