UCSF

ZINC31933144

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 3.85 11.1 -44.76 1 4 1 31 310.421 5
Mid Mid (pH 6-8) 3.85 8.55 -10.4 0 4 0 30 309.413 5
Mid Mid (pH 6-8) 3.85 8.97 -25.88 1 4 1 31 310.421 5
Mid Mid (pH 6-8) 3.85 11.52 -92.96 2 4 2 32 311.429 5

Activity (Go SEA)

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