UCSF

ZINC31484780

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2009 18 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) 2.46 5.37 -7.34 0 3 0 36 244.338 4
Mid Mid (pH 6-8) 2.46 7.64 -45.99 1 3 1 37 245.346 4

Activity (Go SEA)

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