UCSF

ZINC16602936

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 37 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) 3.65 13.5 -17.54 1 7 0 89 497.595 9
Lo Low (pH 4.5-6) 3.65 13.78 -50.17 2 7 1 90 498.603 9

Activity (Go SEA)

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