UCSF

ZINC39973882

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 28 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) 4.24 8.19 -10.85 0 4 0 41 398.503 4
Mid Mid (pH 6-8) 4.24 10.4 -54.07 1 4 1 42 399.511 4

Activity (Go SEA)

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