UCSF

ZINC34666115

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 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) 3.71 7.87 -50.25 2 3 1 35 276.331 5
Hi High (pH 8-9.5) 3.71 6.69 -7.99 1 3 0 30 275.323 5

Activity (Go SEA)

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