UCSF

ZINC16666479

Substance Information

In ZINC since Heavy atoms Benign functionality
September 4th, 2008 28 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) 2.49 2.9 -24.46 1 8 0 110 424.5 5
Hi High (pH 8-9.5) 2.49 3 -65.66 0 8 -1 112 423.492 5

Activity (Go SEA)

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