UCSF

ZINC05617854

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2006 19 Yes

Other Names:

MFCD01315529

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) 4.28 3 -7.11 0 1 0 17 254.304 3

Vendor Notes

Note Type Comments Provided By
melting_point 73 - 75 KeyOrganics

Activity (Go SEA)

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