UCSF

ZINC05341790

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 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) 6.64 13.7 -48.25 0 4 -1 62 434.6 6
Mid Mid (pH 6-8) 6.22 0.46 -13.49 0 4 0 55 435.608 6

Activity (Go SEA)

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