UCSF

ZINC05083619

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 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) 3.25 8.54 -22.29 1 4 0 47 301.415 4
Mid Mid (pH 6-8) 3.25 8.98 -29.44 2 4 1 48 302.423 4

Activity (Go SEA)

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