UCSF

ZINC04051018

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 24 No

Other Names:

MFCD03288834

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) 3.31 2.02 -9.96 0 5 0 63 347.798 4

Vendor Notes

Note Type Comments Provided By
melting_point 96 - 97 KeyOrganics

Activity (Go SEA)

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