UCSF

ZINC52537588

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 30 Yes

Other Names:

MFCD03268583

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) 5.51 10.01 -12.14 1 5 0 45 421.928 6

Vendor Notes

Note Type Comments Provided By
melting_point 121 - 122 KeyOrganics

Activity (Go SEA)

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