UCSF

ZINC35406688

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 23 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) 0.24 4.65 -10.6 0 6 0 57 319.405 3
Mid Mid (pH 6-8) 0.24 6.87 -43.28 1 6 1 58 320.413 3

Activity (Go SEA)

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