UCSF

ZINC28864280

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 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) 0.25 3.07 -51.8 5 7 1 109 351.471 5
Hi High (pH 8-9.5) 0.25 1.88 -21.38 4 7 0 105 350.463 5

Activity (Go SEA)

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