UCSF

ZINC21751040

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 31 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) 3.73 11.28 -20.39 0 6 0 72 461.653 8
Lo Low (pH 4.5-6) 3.73 11.71 -45.82 1 6 1 74 462.661 8

Activity (Go SEA)

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