UCSF

ZINC31961437

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) 0.98 2.59 -54.36 5 5 1 82 275.307 5
Mid Mid (pH 6-8) 0.98 2.2 -13.05 4 5 0 80 274.299 5
Mid Mid (pH 6-8) 0.98 3.06 -103.01 6 5 2 83 276.315 5

Activity (Go SEA)

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