UCSF

ZINC01384491

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 22 Yes

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) 5.00 -0.22 -11.31 0 3 0 31 423.104 3
Lo Low (pH 4.5-6) 5.00 -0.01 -33.95 1 3 1 32 424.112 3

Vendor Notes

Note Type Comments Provided By
melting_point 159 - 161 KeyOrganics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.