UCSF

ZINC32126623

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) 0.71 4.31 -45.05 3 4 1 57 281.351 4
Hi High (pH 8-9.5) 0.71 2.81 -9.56 2 4 0 53 280.343 4

Activity (Go SEA)

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