UCSF

ZINC22619847

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 27 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) 3.05 8.69 -57.01 3 5 1 63 404.943 5
Hi High (pH 8-9.5) 3.05 6.57 -14.31 2 5 0 61 403.935 5

Activity (Go SEA)

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