UCSF

ZINC43509655

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.81 -1.14 -8.29 3 5 0 82 385.504 0
Lo Low (pH 4.5-6) 3.81 0.54 -36.11 4 5 1 84 386.512 0

Activity (Go SEA)

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