UCSF

ZINC32216966

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.57 6.03 -52.66 4 8 1 109 475.635 11
Mid Mid (pH 6-8) 3.57 4 -15.55 3 8 0 108 474.627 11

Activity (Go SEA)

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