UCSF

ZINC30758719

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2009 23 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) 4.21 6.35 -12.25 1 4 0 55 353.871 7
Hi High (pH 8-9.5) 4.21 6.04 -41.89 0 4 -1 57 352.863 7

Activity (Go SEA)

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