UCSF

ZINC36877576

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 30 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) 3.23 10.49 -42.87 2 7 1 67 405.526 5
Mid Mid (pH 6-8) 3.23 8.26 -9.15 1 7 0 66 404.518 5

Activity (Go SEA)

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