UCSF

ZINC39228833

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 30 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) 3.24 10.21 -15.11 2 6 0 74 400.482 5
Lo Low (pH 4.5-6) 3.24 10.75 -38.34 3 6 1 76 401.49 5

Activity (Go SEA)

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