UCSF

ZINC34686902

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 24 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) 4.19 7.8 -8.77 0 3 0 22 353.796 5
Lo Low (pH 4.5-6) 4.19 10.06 -52.35 1 3 1 23 354.804 5

Activity (Go SEA)

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