UCSF

ZINC04073711

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 22 Yes

Other Names:

MFCD00215305

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) 4.63 8.51 -39.58 3 2 1 37 339.286 5
Hi High (pH 8-9.5) 4.63 7.2 -4.81 2 2 0 32 338.278 5

Vendor Notes

Note Type Comments Provided By
melting_point 110 - 112 KeyOrganics

Activity (Go SEA)

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