UCSF

ZINC32118224

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 18 No

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) 1.39 2.51 -10.9 2 5 0 73 270.354 4
Lo Low (pH 4.5-6) 1.39 2.12 -52.87 3 5 1 74 271.362 4

Activity (Go SEA)

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