UCSF

ZINC32804045

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 15 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) 2.17 5.76 -30.97 2 3 1 34 213.345 5
Hi High (pH 8-9.5) 2.17 3.79 -6.63 1 3 0 32 212.337 5

Activity (Go SEA)

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