UCSF

ZINC31958930

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 1.71 5.22 -64.36 4 6 1 83 311.365 5
Mid Mid (pH 6-8) 1.71 4.84 -19.15 3 6 0 82 310.357 5
Mid Mid (pH 6-8) 1.71 5.63 -97.45 5 6 2 85 312.373 5

Activity (Go SEA)

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