UCSF

ZINC06690655

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.04 10.75 -65.5 0 7 -1 91 378.408 5
Mid Mid (pH 6-8) 3.04 11.33 -51.68 1 7 0 93 379.416 5

Activity (Go SEA)

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