UCSF

ZINC35881374

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 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) 4.18 11.06 -7.79 0 4 0 33 410.533 6
Lo Low (pH 4.5-6) 4.18 13.31 -54.93 1 4 1 34 411.541 6

Activity (Go SEA)

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