UCSF

ZINC04053988

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 30 No

Other Names:

MFCD00232423

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) 6.08 16.17 -11.68 0 3 0 27 392.502 5

Vendor Notes

Note Type Comments Provided By
melting_point 137 - 141 KeyOrganics

Activity (Go SEA)

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