UCSF

ZINC39908396

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 34 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) 6.51 15.8 -14.92 0 5 0 46 458.602 11
Lo Low (pH 4.5-6) 6.51 16.44 -32.49 1 5 1 47 459.61 11

Activity (Go SEA)

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