UCSF

ZINC06689431

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 28 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) 3.14 11.21 -11.34 0 5 0 47 375.472 8
Mid Mid (pH 6-8) 3.14 12.34 -33.29 1 5 1 49 376.48 8

Activity (Go SEA)

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