UCSF

ZINC08926897

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 33 No

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) 2.98 9.45 -48.55 2 7 1 81 451.543 8
Mid Mid (pH 6-8) 2.40 10.19 -57.41 1 7 1 77 451.543 8

Activity (Go SEA)

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