UCSF

ZINC21663584

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 25 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) 4.23 11.09 -43.82 2 4 1 46 358.531 9
Hi High (pH 8-9.5) 4.23 8.85 -9.29 1 4 0 45 357.523 9

Activity (Go SEA)

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