UCSF

ZINC39971344

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 29 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) 3.95 6.44 -10.65 0 6 0 59 438.977 7
Mid Mid (pH 6-8) 3.95 8.7 -44.94 1 6 1 60 439.985 7

Activity (Go SEA)

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