UCSF

ZINC01399376

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 14 No

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) 2.12 1.84 -42.42 0 5 -1 85 194.166 3

Vendor Notes

Note Type Comments Provided By
melting_point 82 - 84 KeyOrganics

Activity (Go SEA)

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