UCSF

ZINC01393215

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 22 No

Other Names:

MFCD04124017

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 9.31 -9.97 1 3 0 32 314.816 4

Vendor Notes

Note Type Comments Provided By
melting_point 188 - 190 KeyOrganics

Activity (Go SEA)

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