UCSF

ZINC32188611

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 2.37 4.26 -9.1 1 4 0 44 324.424 1
Lo Low (pH 4.5-6) 2.37 4.65 -29.31 2 4 1 45 325.432 1

Activity (Go SEA)

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