UCSF

ZINC31892914

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 15 No

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) 2.96 5.54 -8.54 3 3 0 51 239.731 2
Mid Mid (pH 6-8) 2.96 5.35 -51.42 4 3 1 53 240.739 2

Activity (Go SEA)

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