UCSF

ZINC08858201

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 36 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) 3.15 -0.49 -60.89 2 10 1 126 496.54 10
Mid Mid (pH 6-8) 2.56 -0.63 -71.41 1 10 1 123 496.54 10

Activity (Go SEA)

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