UCSF

ZINC31959994

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 19 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) 0.72 2.85 -63.32 4 6 1 100 285.345 6
Mid Mid (pH 6-8) 0.72 2.46 -13.3 3 6 0 98 284.337 6

Activity (Go SEA)

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