UCSF

ZINC04812891

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2006 23 No

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) 1.27 -3.78 -40.86 2 6 1 66 333.437 6
Mid Mid (pH 6-8) 1.27 -2.8 -103.38 3 6 2 67 334.445 6

Activity (Go SEA)

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