UCSF

ZINC05768147

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2006 13 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) 1.09 5.1 -42.23 1 3 1 25 185.291 1
Mid Mid (pH 6-8) 1.09 2.78 -6.81 0 3 0 24 184.283 1

Activity (Go SEA)

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