UCSF

ZINC39703702

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2010 29 No

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) 0.57 3.15 -12.41 2 8 0 91 400.479 6
Mid Mid (pH 6-8) 0.57 5.42 -49.57 3 8 1 92 401.487 6

Activity (Go SEA)

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