UCSF

ZINC41283238

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 23 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) 3.82 9.01 -14.86 1 4 0 46 325.799 5
Lo Low (pH 4.5-6) 3.82 9.61 -32.67 2 4 1 48 326.807 5

Activity (Go SEA)

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