UCSF

ZINC08873271

Substance Information

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

Other Names:

MFCD00795041

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) 3.81 5.11 -10.24 2 6 0 79 447.335 8

Vendor Notes

Note Type Comments Provided By
melting_point 178 - 180 KeyOrganics

Activity (Go SEA)

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