UCSF

ZINC12338435

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2008 13 Yes

Other Names:

MFCD08281825

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) 2.02 0.54 -10.23 1 3 0 36 245.12 3

Vendor Notes

Note Type Comments Provided By
melting_point 110 - 113 KeyOrganics

Activity (Go SEA)

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