UCSF

ZINC04042028

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 25 No

Other Names:

MFCD00975809

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) 4.50 10.84 -13.62 1 4 0 46 331.35 3
Ref Reference (pH 7) 4.50 11.05 -9.13 1 4 0 46 331.35 3

Vendor Notes

Note Type Comments Provided By
melting_point 173 - 175 KeyOrganics

Activity (Go SEA)

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