UCSF

ZINC32128939

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 21 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) 3.12 6.98 -46.52 3 3 1 46 284.379 6
Hi High (pH 8-9.5) 3.12 7.77 -68.96 2 3 0 49 283.371 6
Hi High (pH 8-9.5) 3.12 5.5 -9.48 2 3 0 41 283.371 6

Activity (Go SEA)

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