UCSF

ZINC48904701

Substance Information

In ZINC since Heavy atoms Benign functionality
September 20th, 2010 20 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) 0.25 -0.94 -11.92 2 7 0 87 302.4 5
Mid Mid (pH 6-8) 0.25 0.67 -47.16 3 7 1 89 303.408 5

Activity (Go SEA)

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