UCSF

ZINC28224730

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 30 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) 7.98 16.95 -51.06 0 3 -1 49 409.59 15
Lo Low (pH 4.5-6) 7.98 15.83 -10.25 1 3 0 47 410.598 15

Activity (Go SEA)

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