UCSF

ZINC32112956

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 18 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) -0.24 4.25 -63.33 3 6 1 84 264.334 3
Hi High (pH 8-9.5) -0.24 3.98 -12.95 2 6 0 82 263.326 3

Activity (Go SEA)

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