UCSF

ZINC41091202

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 22 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) 4.43 7.14 -9.62 1 3 0 46 315.369 3
Hi High (pH 8-9.5) 4.43 7.56 -41.73 0 3 -1 48 314.361 3

Activity (Go SEA)

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