UCSF

ZINC21145131

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2008 30 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) 4.41 3.83 -14.6 2 8 0 118 400.346 4
Hi High (pH 8-9.5) 4.56 2.07 -45.37 1 8 -1 121 399.338 4

Activity (Go SEA)

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