UCSF

ZINC20546707

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 38 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) 3.38 11.71 -78.77 1 9 0 102 524.614 12
Hi High (pH 8-9.5) 3.38 9.18 -60.09 0 9 -1 101 523.606 12

Activity (Go SEA)

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