UCSF

ZINC08762776

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 34 No

Other Names:

MFCD00202498

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) 3.94 13.15 -35.31 2 6 1 80 455.534 7

Vendor Notes

Note Type Comments Provided By
melting_point 168 - 171 KeyOrganics

Activity (Go SEA)

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