UCSF

ZINC04050069

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 24 Yes

Other Names:

MFCD04124470

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) 5.28 4.09 -9.79 0 3 0 45 342.732 3
Lo Low (pH 4.5-6) 5.28 4.08 -36.66 1 3 1 47 343.74 3

Vendor Notes

Note Type Comments Provided By
melting_point 88 - 90 KeyOrganics

Activity (Go SEA)

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