UCSF

ZINC52731240

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2010 24 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) 2.01 7.16 -45.37 3 6 1 76 353.512 6
Mid Mid (pH 6-8) 2.01 4.99 -15.86 2 6 0 74 352.504 6

Activity (Go SEA)

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