UCSF

ZINC00049100

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 26 Yes

Other Names:

MFCD00955011

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) 1.70 -0.23 -32.98 3 5 0 89 350.418 8

Vendor Notes

Note Type Comments Provided By
melting_point 162 KeyOrganics

Activity (Go SEA)

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