UCSF

ZINC32012189

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 14 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) -1.79 3.38 -63.05 3 5 1 71 210.286 2
Hi High (pH 8-9.5) -1.79 3.05 -11.57 2 5 0 69 209.278 2

Activity (Go SEA)

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