UCSF

ZINC35017356

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 32 No

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) 1.82 11.19 -44.36 1 11 -1 155 464.476 12
Mid Mid (pH 6-8) 2.58 12.28 -22.51 2 11 0 149 465.484 13

Activity (Go SEA)

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