UCSF

ZINC39869704

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 24 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.81 5.23 -12.8 4 5 0 88 339.42 3
Mid Mid (pH 6-8) 3.81 4.44 -45.59 3 5 -1 90 338.412 3

Activity (Go SEA)

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