UCSF

ZINC04089283

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 23 Yes

Other Names:

MFCD06496127

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) 1.83 -2.74 -9.42 1 7 0 90 308.297 2

Vendor Notes

Note Type Comments Provided By
melting_point 164 - 166 KeyOrganics

Activity (Go SEA)

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