UCSF

ZINC13395124

Substance Information

In ZINC since Heavy atoms Benign functionality
June 18th, 2008 24 No

Other Names:

MFCD00975776

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) 5.03 10.96 -12.46 0 3 0 34 312.372 2
Ref Reference (pH 7) 5.03 11.28 -10.93 0 3 0 34 312.372 2

Vendor Notes

Note Type Comments Provided By
melting_point 168 - 170 KeyOrganics

Activity (Go SEA)

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