UCSF

ZINC00763005

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 30 No

Other Names:

MFCD00339838

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) 3.95 1.26 -54.71 0 5 -1 77 394.406 2

Vendor Notes

Note Type Comments Provided By
melting_point 358 - 360 KeyOrganics

Activity (Go SEA)

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