UCSF

ZINC39223464

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 25 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) 2.84 6.46 -42.15 3 6 1 73 361.491 8
Mid Mid (pH 6-8) 2.84 5.46 -23.05 2 6 0 71 360.483 8

Activity (Go SEA)

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