UCSF

ZINC04118402

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 31 Yes

Other Names:

MFCD00954803

Download: MOL2 SDF SMILES Flexibase

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) 5.74 -1.28 -18.48 0 6 0 82 456.903 6

Vendor Notes

Note Type Comments Provided By
melting_point 148 - 150 KeyOrganics

Activity (Go SEA)

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