UCSF

ZINC03128467

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 22 Yes

Other Names:

MFCD00215302

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) 4.53 8.91 -48.25 3 2 1 37 339.286 7
Hi High (pH 8-9.5) 4.53 7.73 -3.89 2 2 0 32 338.278 7

Vendor Notes

Note Type Comments Provided By
melting_point 60 - 62 KeyOrganics

Activity (Go SEA)

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