UCSF

ZINC31933147

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 24 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) 4.35 12.26 -43.66 1 4 1 31 324.448 6
Mid Mid (pH 6-8) 4.35 10.78 -9.85 0 4 0 30 323.44 6
Mid Mid (pH 6-8) 4.35 11.2 -25.61 1 4 1 31 324.448 6
Mid Mid (pH 6-8) 4.35 12.68 -90.72 2 4 2 32 325.456 6

Activity (Go SEA)

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