UCSF

ZINC86863992

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2013 14 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) -0.04 2.34 -52 1 6 -1 100 196.138 3
Hi High (pH 8-9.5) -0.04 3.35 -124.31 0 6 -2 102 195.13 3

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.