UCSF

ZINC32002685

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 19 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) 3.46 6.08 -10.27 1 3 0 57 246.269 1
Hi High (pH 8-9.5) 3.46 6.64 -52.77 0 3 -1 60 245.261 1

Activity (Go SEA)

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