UCSF

ZINC25906524

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2009 27 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) 1.01 3.77 -25.7 1 8 0 100 411.505 6
Hi High (pH 8-9.5) 1.01 3.41 -49.36 0 8 -1 102 410.497 6

Activity (Go SEA)

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