UCSF

ZINC12855724

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 27 No

Other Names:

MFCD00169667

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) 4.72 4.64 -12.68 0 5 0 62 368.429 8

Vendor Notes

Note Type Comments Provided By
melting_point 100 - 102 KeyOrganics

Activity (Go SEA)

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