UCSF

ZINC02118589

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 30 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) 4.81 12.77 -45.28 1 5 1 53 400.454 4
Mid Mid (pH 6-8) 4.81 9.93 -10.39 0 5 0 52 399.446 4

Activity (Go SEA)

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