UCSF

ZINC37079649

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 2.26 7.14 -117.63 4 2 2 32 285.229 5
Mid Mid (pH 6-8) 2.26 4.71 -47.55 3 2 1 31 284.221 5
Mid Mid (pH 6-8) 2.26 6.79 -28.62 3 2 1 30 284.221 5

Activity (Go SEA)

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