UCSF

ZINC35815693

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 39 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 7.07 15.69 -9.43 1 4 0 45 539.789 12
Mid Mid (pH 6-8) 7.07 17.51 -48.8 2 4 1 46 540.797 12

Activity (Go SEA)

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