UCSF

ZINC39759526

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 34 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) 3.87 11.64 -26.09 2 8 0 102 513.048 8
Hi High (pH 8-9.5) 4.06 10.2 -62.07 1 8 -1 108 512.04 8

Activity (Go SEA)

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