UCSF

ZINC38589805

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 28 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) 2.94 8.07 -44.28 3 6 1 58 387.479 7
Mid Mid (pH 6-8) 2.94 5.85 -10.75 2 6 0 57 386.471 7

Activity (Go SEA)

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