UCSF

ZINC05810542

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 21 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) 1.49 5.02 -45.56 2 5 1 57 289.355 7
Mid Mid (pH 6-8) 1.49 3.64 -8.55 1 5 0 53 288.347 7

Activity (Go SEA)

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