UCSF

ZINC35456676

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 24 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) 1.26 9.34 -106.81 1 7 -2 127 342.388 13
Lo Low (pH 4.5-6) 1.26 7.39 -61.29 2 7 -1 124 343.396 13

Activity (Go SEA)

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