UCSF

ZINC41513409

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 27 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 4.99 10.3 -44.56 2 4 1 55 405.301 3
Mid Mid (pH 6-8) 4.99 11.06 -28.85 1 4 0 58 404.293 3

Activity (Go SEA)

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