UCSF

ZINC68196994

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2011 16 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) -0.76 2.8 -15.73 2 6 0 92 220.184 2
Hi High (pH 8-9.5) 0.14 0.66 -57.94 1 6 -1 95 219.176 2

Activity (Go SEA)

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