UCSF

ZINC32086896

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 24 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) 4.27 8.1 -44.59 3 3 1 40 325.476 5
Mid Mid (pH 6-8) 4.27 10.32 -114.31 4 3 2 41 326.484 5

Activity (Go SEA)

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