UCSF

ZINC21288275

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 24 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) 2.73 6.82 -15.27 2 6 0 84 366.874 6
Hi High (pH 8-9.5) 2.91 5.75 -41.06 1 6 -1 90 365.866 6

Activity (Go SEA)

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