UCSF

ZINC31829345

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 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) 2.21 2.19 -48.43 3 5 1 59 295.403 6
Mid Mid (pH 6-8) 2.21 4.42 -37.06 3 5 1 58 295.403 6
Mid Mid (pH 6-8) 2.21 4.62 -118.26 4 5 2 60 296.411 6

Activity (Go SEA)

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