UCSF

ZINC31853996

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 25 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) 3.87 8.4 -48.45 2 5 1 49 341.479 2
Mid Mid (pH 6-8) 3.87 7.81 -54.32 2 5 1 49 341.479 2

Activity (Go SEA)

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