UCSF

ZINC31921209

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) 5.01 11.63 -11.48 0 3 0 41 289.382 3
Mid Mid (pH 6-8) 5.01 12.12 -29.79 1 3 1 42 290.39 3

Activity (Go SEA)

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