UCSF

ZINC31961448

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 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) 0.71 1.18 -56.59 5 7 1 100 301.326 5
Mid Mid (pH 6-8) 0.71 1.65 -104.82 6 7 2 101 302.334 5
Mid Mid (pH 6-8) 0.71 0.79 -15.6 4 7 0 99 300.318 5

Activity (Go SEA)

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