UCSF

ZINC02549311

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 25 No

Other Names:

MFCD03418875

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) 6.09 1.77 -10.7 1 2 0 29 327.427 4

Vendor Notes

Note Type Comments Provided By
melting_point 174 - 175 KeyOrganics

Activity (Go SEA)

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