UCSF

ZINC39919070

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 37 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) -0.38 8.5 -88.83 2 11 -1 157 501.475 6
Lo Low (pH 4.5-6) -0.38 8.96 -102.08 3 11 0 158 502.483 6

Activity (Go SEA)

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