UCSF

ZINC04013049

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 25 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) 7.06 1.53 -4.42 0 2 0 18 393.697 6

Vendor Notes

Note Type Comments Provided By
melting_point 107 - 109 KeyOrganics

Activity (Go SEA)

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