UCSF

ZINC31921670

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 3.22 8.21 -17.71 0 5 0 60 293.326 4
Lo Low (pH 4.5-6) 3.22 8.68 -33.6 1 5 1 61 294.334 4

Activity (Go SEA)

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