UCSF

ZINC08762226

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 31 No

Other Names:

MFCD01314766

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) 5.59 11.74 -12.98 1 5 0 56 425.41 6
Ref Reference (pH 7) 5.59 11.61 -17.7 1 5 0 56 425.41 6

Vendor Notes

Note Type Comments Provided By
melting_point 173 - 176 KeyOrganics

Activity (Go SEA)

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