UCSF

ZINC05720545

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2006 28 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) 7.04 -0.99 -8.86 0 4 0 44 412.942 6

Vendor Notes

Note Type Comments Provided By
melting_point 97 - 99 KeyOrganics

Activity (Go SEA)

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