UCSF

ZINC32230746

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 23 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) 4.75 8.44 -48.62 3 3 1 46 314.449 6
Hi High (pH 8-9.5) 4.75 7.4 -6.54 2 3 0 41 313.441 6

Activity (Go SEA)

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