UCSF

ZINC35707381

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 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) 5.68 12.28 -10.99 3 7 0 77 529.66 7
Mid Mid (pH 6-8) 5.68 14.51 -35.33 4 7 1 78 530.668 7

Activity (Go SEA)

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