UCSF

ZINC32158360

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 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) 1.48 4.45 -47.29 3 5 1 70 295.746 5
Mid Mid (pH 6-8) 1.48 4.06 -10.87 2 5 0 69 294.738 5

Activity (Go SEA)

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