UCSF

ZINC05776136

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 22 No

Other Names:

MFCD01871673

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) 4.47 8.32 -39.63 0 4 -1 66 333.15 2
Lo Low (pH 4.5-6) 3.95 9.61 -10.14 1 4 0 59 334.158 2

Vendor Notes

Note Type Comments Provided By
melting_point 269 - 271 KeyOrganics

Activity (Go SEA)

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