UCSF

ZINC12953318

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 19 Yes

Other Names:

MFCD07021393

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) 1.34 6.4 -128.87 0 6 -2 98 258.233 3

Vendor Notes

Note Type Comments Provided By
melting_point 256 - 258 KeyOrganics

Activity (Go SEA)

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