UCSF

ZINC41584233

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 28 Yes

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) 7.18 12.63 -38.59 2 4 1 51 401.958 10
Mid Mid (pH 6-8) 7.18 13.22 -22.09 1 4 0 54 400.95 10

Activity (Go SEA)

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