UCSF

ZINC22571449

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2008 33 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) 4.22 10.3 -16.96 1 8 0 91 465.579 7
Hi High (pH 8-9.5) 4.29 9.36 -44.05 0 8 -1 97 464.571 7

Activity (Go SEA)

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