UCSF

ZINC31915970

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 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) 4.82 11.55 -13.08 0 3 0 41 289.382 3
Mid Mid (pH 6-8) 4.82 11.96 -31.78 1 3 1 42 290.39 3

Activity (Go SEA)

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