UCSF

ZINC30800356

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2009 22 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) 3.53 7.26 -6.22 1 4 0 55 296.37 5
Hi High (pH 8-9.5) 3.59 4.62 -8.67 1 4 0 59 296.37 5

Activity (Go SEA)

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