UCSF

ZINC05690513

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 22 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) 3.50 8.33 -11.88 1 5 0 72 318.398 7
Mid Mid (pH 6-8) 3.96 6.4 -47.19 0 5 -1 75 317.39 7

Activity (Go SEA)

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