UCSF

ZINC23042560

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 26 No

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) 5.35 9.63 -13.17 1 4 0 53 350.462 5
Hi High (pH 8-9.5) 5.35 10.42 -47.78 0 4 -1 56 349.454 5

Activity (Go SEA)

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