UCSF

ZINC21633982

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 26 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) 3.41 5.62 -68.31 2 6 1 71 439.355 5
Mid Mid (pH 6-8) 3.41 6.48 -22.84 1 6 0 70 438.347 5

Activity (Go SEA)

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