UCSF

ZINC34670494

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 3.62 9.77 -8.78 0 4 0 33 402.485 7
Lo Low (pH 4.5-6) 3.62 12.34 -62.34 1 4 1 34 403.493 7

Activity (Go SEA)

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