UCSF

ZINC39723798

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 27 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) 5.16 11.37 -17.76 1 4 0 55 395.484 5
Mid Mid (pH 6-8) 5.23 9.71 -50.43 0 4 -1 61 394.476 5

Activity (Go SEA)

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