UCSF

ZINC27707454

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 29 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) 3.95 6.76 -12.85 3 6 0 77 417.937 7
Lo Low (pH 4.5-6) 3.95 8.51 -47.65 4 6 1 78 418.945 7

Activity (Go SEA)

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