UCSF

ZINC39971526

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 19 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) 2.79 7.23 -33.61 1 3 1 17 263.405 5
Mid Mid (pH 6-8) 2.79 7.53 -35.39 1 3 1 17 263.405 5
Mid Mid (pH 6-8) 2.79 5.27 -3.47 0 3 0 16 262.397 5

Activity (Go SEA)

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