UCSF

ZINC35425516

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) 2.94 10.36 -20.68 1 9 0 94 432.484 6
Lo Low (pH 4.5-6) 2.94 10.72 -41.3 2 9 1 95 433.492 6

Activity (Go SEA)

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