UCSF

ZINC14741215

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2008 37 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.89 11.8 -45.44 3 9 1 99 506.627 9
Lo Low (pH 4.5-6) 3.89 12.07 -95.62 4 9 2 100 507.635 9

Activity (Go SEA)

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