UCSF

ZINC19863991

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 24 Yes

Other Names:

MFCD02675277

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) 2.46 7.3 -53.33 2 5 1 50 333.362 4
Hi High (pH 8-9.5) 2.46 5.07 -15.44 1 5 0 48 332.354 4

Vendor Notes

Note Type Comments Provided By
melting_point 130 - 131 KeyOrganics

Activity (Go SEA)

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