UCSF

ZINC26962046

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 16 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) 1.84 8.12 -47.56 0 3 -1 53 223.292 8
Lo Low (pH 4.5-6) 1.84 7 -8.83 1 3 0 50 224.3 8

Activity (Go SEA)

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