UCSF

ZINC39766979

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 36 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) 5.63 13.94 -20.32 1 8 0 95 513.604 7
Hi High (pH 8-9.5) 5.82 12.53 -54.01 0 8 -1 101 512.596 7

Activity (Go SEA)

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