UCSF

ZINC03106612

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 24 No

Other Names:

MFCD00521457

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) 3.48 1.51 -9.61 1 8 0 104 333.344 6

Vendor Notes

Note Type Comments Provided By
melting_point 119 - 121 KeyOrganics

Activity (Go SEA)

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