UCSF

ZINC09994049

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2007 36 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) 3.77 10.6 -50.02 2 7 1 81 495.571 10
Mid Mid (pH 6-8) 3.18 11.27 -60 1 7 1 77 495.571 10

Activity (Go SEA)

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