UCSF

ZINC39263526

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 21 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) 1.56 7.64 -12.75 0 4 0 46 301.415 6
Lo Low (pH 4.5-6) 1.56 7.99 -36.63 1 4 1 47 302.423 6

Activity (Go SEA)

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