UCSF

ZINC31961564

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) 1.38 3.37 -54.93 5 5 1 82 289.334 6
Hi High (pH 8-9.5) 1.38 2.98 -14.66 4 5 0 80 288.326 6
Mid Mid (pH 6-8) 1.38 3.84 -104.16 6 5 2 83 290.342 6

Activity (Go SEA)

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