UCSF

ZINC32133514

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 20 No

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) 2.88 8.34 -40.9 1 4 -1 69 285.348 2
Hi High (pH 8-9.5) 3.61 7.9 -116.89 0 4 -2 66 284.34 2

Activity (Go SEA)

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