UCSF

ZINC39973637

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 23 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) 3.17 8.07 -11.59 0 5 0 43 332.473 6
Mid Mid (pH 6-8) 3.17 10.35 -44.27 1 5 1 44 333.481 6

Activity (Go SEA)

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