UCSF

ZINC29383708

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 32 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) 3.84 12.9 -14.02 1 6 0 73 423.52 7
Lo Low (pH 4.5-6) 3.84 13.33 -41.39 2 6 1 74 424.528 7

Activity (Go SEA)

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