UCSF

ZINC05882186

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 25 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) 4.85 7.93 -9.96 2 5 0 70 402.347 8
Mid Mid (pH 6-8) 4.85 8.36 -35.08 3 5 1 71 403.355 8

Activity (Go SEA)

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