UCSF

ZINC41146575

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 23 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) 3.98 10.31 -30.03 3 6 1 77 309.349 5
Hi High (pH 8-9.5) 3.98 9.84 -12.03 2 6 0 76 308.341 5

Activity (Go SEA)

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