UCSF

ZINC56181919

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2010 23 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) 2.02 4.85 -43.73 4 5 1 78 315.393 7
Mid Mid (pH 6-8) 2.02 4.01 -11.47 3 5 0 74 314.385 7

Activity (Go SEA)

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