UCSF

ZINC28806964

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 29 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) 3.54 7.44 -25.52 2 8 0 98 434.905 8
Mid Mid (pH 6-8) 3.54 7.28 -45.76 1 8 -1 97 433.897 8

Activity (Go SEA)

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