UCSF

ZINC09379721

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 39 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) 4.15 10.74 -52.1 3 8 1 101 531.629 11
Mid Mid (pH 6-8) 3.57 -0.44 -61.31 2 8 1 97 531.629 11

Activity (Go SEA)

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