UCSF

ZINC04050507

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 22 No

Other Names:

MFCD02187293

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) -0.66 -4.47 -51.59 2 6 0 94 322.386 4

Vendor Notes

Note Type Comments Provided By
melting_point 187 - 189 KeyOrganics

Activity (Go SEA)

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