UCSF

ZINC13136931

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2008 28 No

Other Names:

MFCD00975506

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) 3.33 7.28 -17.38 1 7 0 82 377.4 8
Ref Reference (pH 7) 3.33 8.51 -19.26 1 7 0 82 377.4 8
Hi High (pH 8-9.5) 3.40 6.03 -62.7 0 7 -1 88 376.392 8

Vendor Notes

Note Type Comments Provided By
melting_point 173 - 175 KeyOrganics

Activity (Go SEA)

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