UCSF

ZINC39767189

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 35 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) 3.58 8.6 -22.93 3 9 0 122 487.541 7
Hi High (pH 8-9.5) 3.65 6.91 -58.94 2 9 -1 129 486.533 7

Activity (Go SEA)

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