UCSF

ZINC57530902

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2011 27 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) 1.71 3.58 -12.42 1 7 0 73 374.437 7
Lo Low (pH 4.5-6) 1.71 6.01 -47.24 2 7 1 74 375.445 7

Activity (Go SEA)

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