UCSF

ZINC39226881

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 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) 1.82 9.15 -56.65 1 4 1 55 285.367 3
Mid Mid (pH 6-8) 1.82 6.94 -11.95 0 4 0 53 284.359 3

Activity (Go SEA)

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