UCSF

ZINC04073713

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 21 Yes

Other Names:

MFCD00215306

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) 4.12 8.09 -41.39 3 2 1 37 325.259 5
Hi High (pH 8-9.5) 4.12 6.8 -4.97 2 2 0 32 324.251 5

Vendor Notes

Note Type Comments Provided By
melting_point 96 - 98 KeyOrganics

Activity (Go SEA)

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