UCSF

ZINC35359736

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 20 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) 2.50 4.82 -11.33 3 4 0 67 290.75 3
Hi High (pH 8-9.5) 2.50 5.75 -54.44 2 4 -1 69 289.742 3

Activity (Go SEA)

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