UCSF

ZINC52241116

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 25 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) 2.24 6.15 -14.15 1 6 0 66 349.475 8
Mid Mid (pH 6-8) 2.24 8.29 -48.39 2 6 1 67 350.483 8

Activity (Go SEA)

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