UCSF

ZINC35809215

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 34 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) 4.78 11.66 -21.04 2 7 0 91 484.666 10
Hi High (pH 8-9.5) 4.60 10.33 -52.56 1 7 -1 98 483.658 10

Activity (Go SEA)

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