UCSF

ZINC41755412

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 23 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 1.25 4.09 -7.99 2 6 0 79 341.77 4
Hi High (pH 8-9.5) 1.44 3.31 -44.08 1 6 -1 85 340.762 4

Activity (Go SEA)

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