UCSF

ZINC22697381

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 26 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) 1.85 8.58 -45.64 1 6 1 54 425.347 4
Hi High (pH 8-9.5) 1.85 6.37 -12.73 0 6 0 53 424.339 4

Activity (Go SEA)

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