UCSF

ZINC41549995

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 24 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) 1.06 0.49 -12.81 2 7 0 80 353.806 4
Mid Mid (pH 6-8) 1.06 2.75 -51.57 3 7 1 81 354.814 4

Activity (Go SEA)

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