UCSF

ZINC04051658

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 20 Yes

Other Names:

MFCD03012234

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) 4.25 10.28 -4.39 0 1 0 13 259.352 3
Lo Low (pH 4.5-6) 4.25 10.74 -33.81 1 1 1 14 260.36 3

Vendor Notes

Note Type Comments Provided By
melting_point 93 - 95 KeyOrganics

Activity (Go SEA)

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