UCSF

ZINC04092840

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 16 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) -1.55 -2.55 -44.65 3 5 0 86 223.228 3

Vendor Notes

Note Type Comments Provided By
melting_point 215 - 216 KeyOrganics

Activity (Go SEA)

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