UCSF

ZINC30879556

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2009 29 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) 3.32 6.28 -52.99 3 8 1 94 394.455 5
Mid Mid (pH 6-8) 3.32 3.78 -17.29 2 8 0 93 393.447 5

Activity (Go SEA)

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