UCSF

ZINC05431688

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 20 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) 2.60 6.86 -10.34 2 5 0 71 290.392 5
Hi High (pH 8-9.5) 2.60 6.67 -43.85 1 5 -1 69 289.384 5

Activity (Go SEA)

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