UCSF

ZINC35512250

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 35 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) 5.04 12.3 -11.32 1 6 0 58 474.511 5
Mid Mid (pH 6-8) 5.04 12.77 -41.46 2 6 1 59 475.519 5

Activity (Go SEA)

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