UCSF

ZINC13395385

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 34 No

Other Names:

MFCD00202498

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) 3.94 11.84 -11.68 1 6 0 76 454.526 7

Vendor Notes

Note Type Comments Provided By
melting_point 168 - 171 KeyOrganics

Activity (Go SEA)

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