UCSF

ZINC39287123

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 26 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) 0.72 2.27 -80.5 2 7 1 105 427.996 5
Mid Mid (pH 6-8) 0.72 1.1 -25.83 1 7 0 101 426.988 5

Activity (Go SEA)

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