UCSF

ZINC20217562

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 19 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) 0.59 8.07 -78.68 1 5 0 65 262.309 2
Hi High (pH 8-9.5) 0.59 6.07 -69.52 0 5 -1 64 261.301 2

Activity (Go SEA)

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